Joint three-dimensional inversion of coupled groundwater flow and heat transfer based on automatic differentiation: sensitivity calculation, verification, and synthetic examples

NASA Astrophysics Data System (ADS)

Rath, V.; Wolf, A.; Bücker, H. M.

2006-10-01

Inverse methods are useful tools not only for deriving estimates of unknown parameters of the subsurface, but also for appraisal of the thus obtained models. While not being neither the most general nor the most efficient methods, Bayesian inversion based on the calculation of the Jacobian of a given forward model can be used to evaluate many quantities useful in this process. The calculation of the Jacobian, however, is computationally expensive and, if done by divided differences, prone to truncation error. Here, automatic differentiation can be used to produce derivative code by source transformation of an existing forward model. We describe this process for a coupled fluid flow and heat transport finite difference code, which is used in a Bayesian inverse scheme to estimate thermal and hydraulic properties and boundary conditions form measured hydraulic potentials and temperatures. The resulting derivative code was validated by comparison to simple analytical solutions and divided differences. Synthetic examples from different flow regimes demonstrate the use of the inverse scheme, and its behaviour in different configurations.

Theoretical and experimental investigation of the destruction of graphites in a flow of dissociated air

NASA Technical Reports Server (NTRS)

Bovina, T. A.; Zviagin, Y. V.; Markelov, N. V.; Chudetskiy, Y. V.

1986-01-01

A method is presented for calculating the heating and erosion of blunt bodies made of graphite in a high-enthalpy flow of dissociated air, assuming chemical equilibrium on the surface and taking account of the thermal effects of combustion and sublimation of graphite. The analysis involves the use of a finite difference scheme to solve an equation of unsteady heat conduction. Attention is given to the equilibrium vaporization of C, C2 and C3 molecules. The calculations agree well with experimental data for a wide range of temperatures and stagnation pressures.

Investigation of Rapid Low-Power Microwave-Induction Heating Scheme on the Cross-Linking Process of the Poly(4-vinylphenol) for the Gate Insulator of Pentacene-Based Thin-Film Transistors

PubMed Central

Fan, Ching-Lin; Shang, Ming-Chi; Wang, Shea-Jue; Hsia, Mao-Yuan; Lee, Win-Der; Huang, Bohr-Ran

2017-01-01

In this study, a proposed Microwave-Induction Heating (MIH) scheme has been systematically studied to acquire suitable MIH parameters including chamber pressure, microwave power and heating time. The proposed MIH means that the thin indium tin oxide (ITO) metal below the Poly(4-vinylphenol) (PVP) film is heated rapidly by microwave irradiation and the heated ITO metal gate can heat the PVP gate insulator, resulting in PVP cross-linking. It is found that the attenuation of the microwave energy decreases with the decreasing chamber pressure. The optimal conditions are a power of 50 W, a heating time of 5 min, and a chamber pressure of 20 mTorr. When suitable MIH parameters were used, the effect of PVP cross-linking and the device performance were similar to those obtained using traditional oven heating, even though the cross-linking time was significantly decreased from 1 h to 5 min. Besides the gate leakage current, the interface trap state density (Nit) was also calculated to describe the interface status between the gate insulator and the active layer. The lowest interface trap state density can be found in the device with the PVP gate insulator cross-linked by using the optimal MIH condition. Therefore, it is believed that the MIH scheme is a good candidate to cross-link the PVP gate insulator for organic thin-film transistor applications as a result of its features of rapid heating (5 min) and low-power microwave-irradiation (50 W). PMID:28773101

Investigation of Rapid Low-Power Microwave-Induction Heating Scheme on the Cross-Linking Process of the Poly(4-vinylphenol) for the Gate Insulator of Pentacene-Based Thin-Film Transistors.

PubMed

Fan, Ching-Lin; Shang, Ming-Chi; Wang, Shea-Jue; Hsia, Mao-Yuan; Lee, Win-Der; Huang, Bohr-Ran

2017-07-03

In this study, a proposed Microwave-Induction Heating (MIH) scheme has been systematically studied to acquire suitable MIH parameters including chamber pressure, microwave power and heating time. The proposed MIH means that the thin indium tin oxide (ITO) metal below the Poly(4-vinylphenol) (PVP) film is heated rapidly by microwave irradiation and the heated ITO metal gate can heat the PVP gate insulator, resulting in PVP cross-linking. It is found that the attenuation of the microwave energy decreases with the decreasing chamber pressure. The optimal conditions are a power of 50 W, a heating time of 5 min, and a chamber pressure of 20 mTorr. When suitable MIH parameters were used, the effect of PVP cross-linking and the device performance were similar to those obtained using traditional oven heating, even though the cross-linking time was significantly decreased from 1 h to 5 min. Besides the gate leakage current, the interface trap state density (Nit) was also calculated to describe the interface status between the gate insulator and the active layer. The lowest interface trap state density can be found in the device with the PVP gate insulator cross-linked by using the optimal MIH condition. Therefore, it is believed that the MIH scheme is a good candidate to cross-link the PVP gate insulator for organic thin-film transistor applications as a result of its features of rapid heating (5 min) and low-power microwave-irradiation (50 W).

Theoretical Calculation of Jet Fuel Thermochemistry. 1; Tetrahydrodicylopentadiene (JP10) Thermochemistry Using the CBS-QB3 and G3(MP2)//B3LYP Methods

NASA Technical Reports Server (NTRS)

Zehe, Michael J.; Jaffe, Richard L.

2010-01-01

High-level ab initio calculations have been performed on the exo and endo isomers of gas-phase tetrahydrodicyclopentadiene (THDCPD), a principal component of the jet fuel JP10, using the Gaussian Gx and Gx(MPx) composite methods, as well as the CBS-QB3 method, and using a variety of isodesmic and homodesmotic reaction schemes. The impetus for this work is to help resolve large discrepancies existing between literature measurements of the formation enthalpy Delta (sub f)H deg (298) for exo-THDCPD. We find that use of the isodesmic bond separation reaction C10H16 + 14CH4 yields 12C2H6 yields results for the exo isomer (JP10) in between the two experimentally accepted values, for the composite methods G3(MP2), G3(MP2)//B3LYP, and CBS-QB3. Application of this same isodesmic bond separation scheme to gas-phase adamantane yields a value for Delta (sub f)H deg (298) within 5 kJ/mol of experiment. Isodesmic bond separation calculations for the endo isomer give a heat of formation in excellent agreement with the experimental measurement. Combining our calculated values for the gas-phase heat of formation with recent measurements of the heat of vaporization yields recommended values for Delta (sub f)H deg (298)liq of -126.4 and -114.7 kJ/mol for the exo and endo isomers, respectively.

Method for solving the problem of nonlinear heating a cylindrical body with unknown initial temperature

NASA Astrophysics Data System (ADS)

Yaparova, N.

2017-10-01

We consider the problem of heating a cylindrical body with an internal thermal source when the main characteristics of the material such as specific heat, thermal conductivity and material density depend on the temperature at each point of the body. We can control the surface temperature and the heat flow from the surface inside the cylinder, but it is impossible to measure the temperature on axis and the initial temperature in the entire body. This problem is associated with the temperature measurement challenge and appears in non-destructive testing, in thermal monitoring of heat treatment and technical diagnostics of operating equipment. The mathematical model of heating is represented as nonlinear parabolic PDE with the unknown initial condition. In this problem, both the Dirichlet and Neumann boundary conditions are given and it is required to calculate the temperature values at the internal points of the body. To solve this problem, we propose the numerical method based on using of finite-difference equations and a regularization technique. The computational scheme involves solving the problem at each spatial step. As a result, we obtain the temperature function at each internal point of the cylinder beginning from the surface down to the axis. The application of the regularization technique ensures the stability of the scheme and allows us to significantly simplify the computational procedure. We investigate the stability of the computational scheme and prove the dependence of the stability on the discretization steps and error level of the measurement results. To obtain the experimental temperature error estimates, computational experiments were carried out. The computational results are consistent with the theoretical error estimates and confirm the efficiency and reliability of the proposed computational scheme.

Radiative heat transfer in anisotropic many-body systems: Tuning and enhancement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nikbakht, Moladad, E-mail: mnik@znu.ac.ir

2014-09-07

A general formalism for calculating the radiative heat transfer in many body systems with anisotropic component is presented. Our scheme extends the theory of radiative heat transfer in isotropic many body systems to anisotropic cases. In addition, the radiative heating of the particles by the thermal bath is taken into account in our formula. It is shown that the radiative heat exchange (HE) between anisotropic particles and their radiative cooling/heating (RCH) could be enhanced several order of magnitude than that of isotropic particles. Furthermore, we demonstrate that both the HE and RCH can be tuned dramatically by particles relative orientationmore » in many body systems.« less

Heat Transfer and Fluid Mechanics Institute, 24th, Oregon State University, Corvallis, Ore., June 12-14, 1974, Proceedings

NASA Technical Reports Server (NTRS)

Davis, L. R. (Editor); Wilson, R. E.

1974-01-01

Recent theoretical and experimental studies in heat transfer and fluid mechanics, including some environmental protection investigations, are presented in a number of papers. Some of the topics covered include condensation heat transfer, a model of turbulent momentum and heat transfer at points of separation and reattachment, an explicit scheme for calculations of confined turbulent flows with heat transfer, heat transfer effects on a delta wing in subsonic flow, fluid mechanics of ocean outfalls, thermal plumes from industrial cooling water, a photochemical air pollution model for the Los Angeles air basin, and a turbulence model of diurnal variations in the planetary boundary layer. Individual items are announced in this issue.

Symmetric Anderson impurity model: Magnetic susceptibility, specific heat and Wilson ratio

NASA Astrophysics Data System (ADS)

Zalom, Peter; Pokorný, Vladislav; Janiš, Václav

2018-05-01

We extend the spin-polarized effective-interaction approximation of the parquet renormalization scheme from Refs. [1,2] applied on the symmetric Anderson model by adding the low-temperature asymptotics of the total energy and the specific heat. We calculate numerically the Wilson ratio and determine analytically its asymptotic value in the strong-coupling limit. We demonstrate in this way that the exponentially small Kondo scale from the strong-coupling regime emerges in qualitatively the same way in the spectral function, magnetic susceptibility and the specific heat.

Transient three-dimensional thermal-hydraulic analysis of nuclear reactor fuel rod arrays: general equations and numerical scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wnek, W.J.; Ramshaw, J.D.; Trapp, J.A.

1975-11-01

A mathematical model and a numerical solution scheme for thermal- hydraulic analysis of fuel rod arrays are given. The model alleviates the two major deficiencies associated with existing rod array analysis models, that of a correct transverse momentum equation and the capability of handling reversing and circulatory flows. Possible applications of the model include steady state and transient subchannel calculations as well as analysis of flows in heat exchangers, other engineering equipment, and porous media. (auth)

Predictions for partial and monolayer coverages of O2 on graphite

NASA Technical Reports Server (NTRS)

Pan, R. P.; Etters, R. D.; Kobashi, K.; Chandrasekharan, V.

1982-01-01

Monolayer properties of O2 on graphite are calculated using a pattern recognition, optimization scheme. Equilibrium monolayers are predicted at two different densities with properties in agreement with recent X-ray diffraction, specific heat, and neutron scattering data. Properties of the extremely low density regime are calculated using a model based upon a distribution of two-dimensional O2 clusters. The results are consistent with experimental evidence.

Chemical transport models: the combined non-local diffusion and mixing schemes, and calculation of in-canopy resistance for dry deposition fluxes.

PubMed

Mihailovic, Dragutin T; Alapaty, Kiran; Podrascanin, Zorica

2009-03-01

Improving the parameterization of processes in the atmospheric boundary layer (ABL) and surface layer, in air quality and chemical transport models. To do so, an asymmetrical, convective, non-local scheme, with varying upward mixing rates is combined with the non-local, turbulent, kinetic energy scheme for vertical diffusion (COM). For designing it, a function depending on the dimensionless height to the power four in the ABL is suggested, which is empirically derived. Also, we suggested a new method for calculating the in-canopy resistance for dry deposition over a vegetated surface. The upward mixing rate forming the surface layer is parameterized using the sensible heat flux and the friction and convective velocities. Upward mixing rates varying with height are scaled with an amount of turbulent kinetic energy in layer, while the downward mixing rates are derived from mass conservation. The vertical eddy diffusivity is parameterized using the mean turbulent velocity scale that is obtained by the vertical integration within the ABL. In-canopy resistance is calculated by integration of inverse turbulent transfer coefficient inside the canopy from the effective ground roughness length to the canopy source height and, further, from its the canopy height. This combination of schemes provides a less rapid mass transport out of surface layer into other layers, during convective and non-convective periods, than other local and non-local schemes parameterizing mixing processes in the ABL. The suggested method for calculating the in-canopy resistance for calculating the dry deposition over a vegetated surface differs remarkably from the commonly used one, particularly over forest vegetation. In this paper, we studied the performance of a non-local, turbulent, kinetic energy scheme for vertical diffusion combined with a non-local, convective mixing scheme with varying upward mixing in the atmospheric boundary layer (COM) and its impact on the concentration of pollutants calculated with chemical and air-quality models. In addition, this scheme was also compared with a commonly used, local, eddy-diffusivity scheme. Simulated concentrations of NO2 by the COM scheme and new parameterization of the in-canopy resistance are closer to the observations when compared to those obtained from using the local eddy-diffusivity scheme. Concentrations calculated with the COM scheme and new parameterization of in-canopy resistance, are in general higher and closer to the observations than those obtained by the local, eddy-diffusivity scheme (on the order of 15-22%). To examine the performance of the scheme, simulated and measured concentrations of a pollutant (NO2) were compared for the years 1999 and 2002. The comparison was made for the entire domain used in simulations performed by the chemical European Monitoring and Evaluation Program Unified model (version UNI-ACID, rv2.0) where schemes were incorporated.

Comparison of GCM subgrid fluxes calculated using BATS and SiB schemes with a coupled land-atmosphere high-resolution model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Jinmei; Arritt, R.W.

The importance of land-atmosphere interactions and biosphere in climate change studies has long been recognized, and several land-atmosphere interaction schemes have been developed. Among these, the Simple Biosphere scheme (SiB) of Sellers et al. and the Biosphere Atmosphere Transfer Scheme (BATS) of Dickinson et al. are two of the most widely known. The effects of GCM subgrid-scale inhomogeneities of surface properties in general circulation models also has received increasing attention in recent years. However, due to the complexity of land surface processes and the difficulty to prescribe the large number of parameters that determine atmospheric and soil interactions with vegetation,more » many previous studies and results seem to be contradictory. A GCM grid element typically represents an area of 10{sup 4}-10{sup 6} km{sup 2}. Within such an area, there exist variations of soil type, soil wetness, vegetation type, vegetation density and topography, as well as urban areas and water bodies. In this paper, we incorporate both BATS and SiB2 land surface process schemes into a nonhydrostatic, compressible version of AMBLE model (Atmospheric Model -- Boundary-Layer Emphasis), and compare the surface heat fluxes and mesoscale circulations calculated using the two schemes. 8 refs., 5 figs.« less

Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy.

PubMed

Sengupta, Arkajyoti; Ramabhadran, Raghunath O; Raghavachari, Krishnan

2014-08-14

In this study we have used the connectivity-based hierarchy (CBH) method to derive accurate heats of formation of a range of biomolecules, 18 amino acids and 10 barbituric acid/uracil derivatives. The hierarchy is based on the connectivity of the different atoms in a large molecule. It results in error-cancellation reaction schemes that are automated, general, and can be readily used for a broad range of organic molecules and biomolecules. Herein, we first locate stable conformational and tautomeric forms of these biomolecules using an accurate level of theory (viz. CCSD(T)/6-311++G(3df,2p)). Subsequently, the heats of formation of the amino acids are evaluated using the CBH-1 and CBH-2 schemes and routinely employed density functionals or wave function-based methods. The calculated heats of formation obtained herein using modest levels of theory and are in very good agreement with those obtained using more expensive W1-F12 and W2-F12 methods on amino acids and G3 results on barbituric acid derivatives. Overall, the present study (a) highlights the small effect of including multiple conformers in determining the heats of formation of biomolecules and (b) in concurrence with previous CBH studies, proves that use of the more effective error-cancelling isoatomic scheme (CBH-2) results in more accurate heats of formation with modestly sized basis sets along with common density functionals or wave function-based methods.

Non-equilibrium radiation from viscous chemically reacting two-phase exhaust plumes

NASA Technical Reports Server (NTRS)

Penny, M. M.; Smith, S. D.; Mikatarian, R. R.; Ring, L. R.; Anderson, P. G.

1976-01-01

A knowledge of the structure of the rocket exhaust plumes is necessary to solve problems involving plume signatures, base heating, plume/surface interactions, etc. An algorithm is presented which treats the viscous flow of multiphase chemically reacting fluids in a two-dimensional or axisymmetric supersonic flow field. The gas-particle flow solution is fully coupled with the chemical kinetics calculated using an implicit scheme to calculate chemical production rates. Viscous effects include chemical species diffusion with the viscosity coefficient calculated using a two-equation turbulent kinetic energy model.

Sensitivity of a cloud parameterization package in the National Center for Atmospheric Research Community Climate Model

NASA Astrophysics Data System (ADS)

Kao, C.-Y. J.; Smith, W. S.

1999-05-01

A physically based cloud parameterization package, which includes the Arakawa-Schubert (AS) scheme for subgrid-scale convective clouds and the Sundqvist (SUN) scheme for nonconvective grid-scale layered clouds (hereafter referred to as the SUNAS cloud package), is incorporated into the National Center for Atmospheric Research (NCAR) Community Climate Model, Version 2 (CCM2). The AS scheme is used for a more reasonable heating distribution due to convective clouds and their associated precipitation. The SUN scheme allows for the prognostic computation of cloud water so that the cloud optical properties are more physically determined for shortwave and longwave radiation calculations. In addition, the formation of anvil-like clouds from deep convective systems is able to be simulated with the SUNAS package. A 10-year simulation spanning the period from 1980 to 1989 is conducted, and the effect of the cloud package on the January climate is assessed by comparing it with various available data sets and the National Center for Environmental Protection/NCAR reanalysis. Strengths and deficiencies of both the SUN and AS methods are identified and discussed. The AS scheme improves some aspects of the model dynamics and precipitation, especially with respect to the Pacific North America (PNA) pattern. CCM2's tendency to produce a westward bias of the 500 mbar stationary wave (time-averaged zonal anomalies) in the PNA sector is remedied apparently because of a less "locked-in" heating pattern in the tropics. The additional degree of freedom added by the prognostic calculation of cloud water in the SUN scheme produces interesting results in the modeled cloud and radiation fields compared with data. In general, too little cloud water forms in the tropics, while excessive cloud cover and cloud liquid water are simulated in midlatitudes. This results in a somewhat degraded simulation of the radiation budget. The overall simulated precipitation by the SUNAS package is, however, substantially improved over the original CCM2.

Radiative Heat Transfer in Finite Cylindrical Enclosures with Nonhomogeneous Participating Media

NASA Technical Reports Server (NTRS)

Hsu, Pei-Feng; Ku, Jerry C.

1994-01-01

Results of a numerical solution for radiative heat transfer in homogeneous and nonhomogeneous participating media are presented. The geometry of interest is a finite axisymmetric cylindrical enclosure. The integral formulation for radiative transport is solved by the YIX method. A three-dimensional solution scheme is applied to two-dimensional axisymmetric geometry to simplify kernel calculations and to avoid difficulties associated with treating boundary conditions. As part of the effort to improve modeling capabilities for turbulent jet diffusion flames, predicted distributions for flame temperature and soot volume fraction are used to calculate radiative heat transfer from soot particles in such flames. It is shown that the nonhomogeneity of radiative property has very significant effects. The peak value of the divergence of radiative heat flux could be underestimated by 2 factor of 7 if a mean homogeneous radiative property is used. Since recent studies have shown that scattering by soot agglomerates is significant in flames, the effect of magnitude of scattering is also investigated and found to be nonnegligible.

Convective Heat Transfer in the Reusable Solid Rocket Motor of the Space Transportation System

NASA Technical Reports Server (NTRS)

Ahmad, Rashid A.; Cash, Stephen F. (Technical Monitor)

2002-01-01

This simulation involved a two-dimensional axisymmetric model of a full motor initial grain of the Reusable Solid Rocket Motor (RSRM) of the Space Transportation System (STS). It was conducted with CFD (computational fluid dynamics) commercial code FLUENT. This analysis was performed to: a) maintain continuity with most related previous analyses, b) serve as a non-vectored baseline for any three-dimensional vectored nozzles, c) provide a relatively simple application and checkout for various CFD solution schemes, grid sensitivity studies, turbulence modeling and heat transfer, and d) calculate nozzle convective heat transfer coefficients. The accuracy of the present results and the selection of the numerical schemes and turbulence models were based on matching the rocket ballistic predictions of mass flow rate, head end pressure, vacuum thrust and specific impulse, and measured chamber pressure drop. Matching these ballistic predictions was found to be good. This study was limited to convective heat transfer and the results compared favorably with existing theory. On the other hand, qualitative comparison with backed-out data of the ratio of the convective heat transfer coefficient to the specific heat at constant pressure was made in a relative manner. This backed-out data was devised to match nozzle erosion that was a result of heat transfer (convective, radiative and conductive), chemical (transpirating), and mechanical (shear and particle impingement forces) effects combined.

Conjugate heat and mass transfer in the lattice Boltzmann equation method.

PubMed

Li, Like; Chen, Chen; Mei, Renwei; Klausner, James F

2014-04-01

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.

Conjugate heat and mass transfer in the lattice Boltzmann equation method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, LK; Chen, C; Mei, RW

2014-04-22

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer inmore » porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.« less

Performance and heat transfer characteristics of the laser-heated rocket - A future space transportation system

NASA Technical Reports Server (NTRS)

Shoji, J. M.; Larson, V. R.

1976-01-01

The application of advanced liquid-bipropellant rocket engine analysis techniques has been utilized for prediction of the potential delivered performance and the design of thruster wall cooling schemes for laser-heated rocket thrusters. Delivered specific impulse values greater than 1000 lbf-sec/lbm are potentially achievable based on calculations for thrusters designed for 10-kW and 5000-kW laser beam power levels. A thruster wall-cooling technique utilizing a combination of regenerative cooling and a carbon-seeded hydrogen boundary layer is presented. The flowing carbon-seeded hydrogen boundary layer provides radiation absorption of the heat radiated from the high-temperature plasma. Also described is a forced convection thruster wall cooling design for an experimental test thruster.

Cooling options for high-average-power laser mirrors

NASA Astrophysics Data System (ADS)

Vojna, D.; Slezak, O.; Lucianetti, A.; Mocek, T.

2015-01-01

Thermally-induced deformations of steering mirrors reflecting 100 J/10 Hz laser pulses in vacuum have been analyzed. This deformation is caused by the thermal stress arisen due to parasitic absorption of 1 kW square-shaped flat-top laser beam in the dielectric multi-layer structure. Deformation depends on amount of absorbed power and geometry of the mirror as well as on the heat removal scheme. In our calculations, the following percentages of absorption of the incident power have been used: 1%, 0.5% and 0.1%. The absorbed power has been considered to be much higher than that expected in reality to assess the worst case scenario. Rectangular and circular mirrors made of zerodur (low thermal expansion glass) were considered for these simulations. The effect of coating layers on induced deformations has been neglected. Induced deformation of the mirror surface can significantly degrade the quality of the laser beam in the beam delivery system. Therefore, the proper design of the cooling scheme for the mirror in order to minimize the deformations is needed. Three possible cooling schemes of the mirror have been investigated. The first one takes advantage of a radiation cooling of the mirror and a copper heatsink fixed to the rear face of the mirror, the second scheme is based on additional heat conduction provided by flexible copper wires connected to the mirror holder, and the last scheme combines two above mentioned methods.

Control of final moisture content of food products baked in continuous tunnel ovens

NASA Astrophysics Data System (ADS)

McFarlane, Ian

2006-02-01

There are well-known difficulties in making measurements of the moisture content of baked goods (such as bread, buns, biscuits, crackers and cake) during baking or at the oven exit; in this paper several sensing methods are discussed, but none of them are able to provide direct measurement with sufficient precision. An alternative is to use indirect inferential methods. Some of these methods involve dynamic modelling, with incorporation of thermal properties and using techniques familiar in computational fluid dynamics (CFD); a method of this class that has been used for the modelling of heat and mass transfer in one direction during baking is summarized, which may be extended to model transport of moisture within the product and also within the surrounding atmosphere. The concept of injecting heat during the baking process proportional to the calculated heat load on the oven has been implemented in a control scheme based on heat balance zone by zone through a continuous baking oven, taking advantage of the high latent heat of evaporation of water. Tests on biscuit production ovens are reported, with results that support a claim that the scheme gives more reproducible water distribution in the final product than conventional closed loop control of zone ambient temperatures, thus enabling water content to be held more closely within tolerance.

Systems design study of the Pioneer Venus spacecraft. Appendices to volume 1, section 7 (part 2 of 3). [procedures for predicting aeroheating environment of Venus entry probes

NASA Technical Reports Server (NTRS)

1973-01-01

The procedures for predicting the aeroheating environment of Venus entry probes are outlined. After some consideration, a number of assumptions were adopted in order to make the prediction techniques tractable. Among these assumptions are thermochemical equilibrium, uncoupled radiative and convective processes, and uncoupled ablation products effects. The single strip method of integral relations, appropriately constrained, is shown to provide adequate inviscid results as a basis for heating calculations on blunt configurations. Techniques for prediction of the laminar, transitional, and turbulent convective environment are outlined and shown to agree with data. The prediction of radiative heating in C, N, and O gas mixtures is discussed and a practical scheme adopted. A comparison with LRC calculations is made.

Simulation of heat and mass transfer processes in the experimental section of the air-condensing unit of Scientific Production Company "Turbocon"

NASA Astrophysics Data System (ADS)

Artemov, V. I.; Minko, K. B.; Yan'kov, G. G.; Kiryukhin, A. V.

2016-05-01

A mathematical model was developed to be used for numerical analysis of heat and mass transfer processes in the experimental section of the air condenser (ESAC) created in the Scientific Production Company (SPC) "Turbocon" and mounted on the territory of the All-Russia Thermal Engineering Institute. The simulations were performed using the author's CFD code ANES. The verification of the models was carried out involving the experimental data obtained in the tests of ESAC. The operational capability of the proposed models to calculate the processes in steam-air mixture and cooling air and algorithms to take into account the maldistribution in the various rows of tube bundle was shown. Data on the influence of temperature and flow rate of the cooling air on the pressure in the upper header of ESAC, effective heat transfer coefficient, steam flow distribution by tube rows, and the dimensions of the ineffectively operating zones of tube bundle for two schemes of steam-air mixture flow (one-pass and two-pass ones) were presented. It was shown that the pressure behind the turbine (in the upper header) increases significantly at increase of the steam flow rate and reduction of the flow rate of cooling air and its temperature rise, and the maximum value of heat transfer coefficient is fully determined by the flow rate of cooling air. Furthermore, the steam flow rate corresponding to the maximum value of heat transfer coefficient substantially depends on the ambient temperature. The analysis of the effectiveness of the considered schemes of internal coolant flow was carried out, which showed that the two-pass scheme is more effective because it provides lower pressure in the upper header, despite the fact that its hydraulic resistance at fixed flow rate of steam-air mixture is considerably higher than at using the one-pass schema. This result is a consequence of the fact that, in the two-pass scheme, the condensation process involves the larger internal surface of tubes, results in lower values of Δ t (the temperature difference between internal and external coolant) for a given heat load.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stubos, A.K.; Caseiras, C.P.; Buchlin, J.M.

The transient two-phase flow and phase change heat transfer processes in porous media are investigated. Based on an enthalpic approach, a one-domain formulation of the problem is developed, avoiding explicit internal boundary tracking between single- and two-phase regions. An efficient numerical scheme is applied to obtain the solution on a fixed two-dimensional grid. The transient response of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of a liquid-saturated, self-heated porous bed is examined in detail. A physical interpretation of the computed response to fast power transients is attempted. Comparisons with experimental data are made regarding themore » average void fraction and the limiting dryout heat flux. The numerical approach is extended, keeping the one-domain formulation, to include the surrounding wall structure in the calculation.« less

Maisotsenko cycle applications for multistage compressors cooling

NASA Astrophysics Data System (ADS)

Levchenko, D.; Yurko, I.; Artyukhov, A.; Baga, V.

2017-08-01

The present study provides the overview of Maisotsenko Cycle (M-Cycle) applications for gas cooling in compressor systems. Various schemes of gas cooling systems are considered regarding to their thermal efficiency and cooling capacity. Preliminary calculation of M-cycle HMX has been conducted. It is found that M-cycle HMX scheme allows to brake the limit of the ambient wet bulb temperature for evaporative cooling. It has demonstrated that a compact integrated heat and moisture exchange process can cool product fluid to the level below the ambient wet bulb temperature, even to the level of dew point temperature of the incoming air with substantially lower water and energy consumption requirements.

Experimental study of heating scheme effect on the inner divertor power footprint widths in EAST lower single null discharges

NASA Astrophysics Data System (ADS)

Deng, G. Z.; Xu, J. C.; Liu, X.; Liu, X. J.; Liu, J. B.; Zhang, H.; Liu, S. C.; Chen, L.; Yan, N.; Feng, W.; Liu, H.; Xia, T. Y.; Zhang, B.; Shao, L. M.; Ming, T. F.; Xu, G. S.; Guo, H. Y.; Xu, X. Q.; Gao, X.; Wang, L.

2018-04-01

A comprehensive work of the effects of plasma current and heating schemes on divertor power footprint widths is carried out in the experimental advanced superconducting tokamak (EAST). The divertor power footprint widths, i.e., the scrape-off layer heat flux decay length λ q and the heat spreading S, are crucial physical and engineering parameters for fusion reactors. Strong inverse scaling of λ q and S with plasma current have been demonstrated for both neutral beam (NB) and lower hybrid wave (LHW) heated L-mode and H-mode plasmas at the inner divertor target. For plasmas heated by the combination of the two kinds of auxiliary heating schemes (NB and LHW), the divertor power widths tend to be larger in plasmas with higher ratio of LHW power. Comparison between experimental heat flux profiles at outer mid-plane (OMP) and divertor target for NB heated and LHW heated L-mode plasmas reveals that the magnetic topology changes induced by LHW may be the main reason to the wider divertor power widths in LHW heated discharges. The effect of heating schemes on divertor peak heat flux has also been investigated, and it is found that LHW heated discharges tend to have a lower divertor peak heat flux compared with NB heated discharges under similar input power. All these findings seem to suggest that plasmas with LHW auxiliary heating scheme are better heat exhaust scenarios for fusion reactors and should be the priorities for the design of next-step fusion reactors like China Fusion Engineering Test Reactor.

The effects of finite rate chemical processes on high enthalpy nozzle performance - A comparison between SPARK and SEAGULL

NASA Technical Reports Server (NTRS)

Carpenter, M. H.

1988-01-01

The generalized chemistry version of the computer code SPARK is extended to include two higher-order numerical schemes, yielding fourth-order spatial accuracy for the inviscid terms. The new and old formulations are used to study the influences of finite rate chemical processes on nozzle performance. A determination is made of the computationally optimum reaction scheme for use in high-enthalpy nozzles. Finite rate calculations are compared with the frozen and equilibrium limits to assess the validity of each formulation. In addition, the finite rate SPARK results are compared with the constant ratio of specific heats (gamma) SEAGULL code, to determine its accuracy in variable gamma flow situations. Finally, the higher-order SPARK code is used to calculate nozzle flows having species stratification. Flame quenching occurs at low nozzle pressures, while for high pressures, significant burning continues in the nozzle.

Lattice dynamical investigation of the Raman and infrared wave numbers and heat capacity properties of the pyrochlores R2Zr2O7 (R = La, Nd, Sm, Eu)

NASA Astrophysics Data System (ADS)

Nandi, S.; Jana, Y. M.; Gupta, H. C.

2018-04-01

A short-range electrostatic forcefield model has been applied for the first time to investigate the Raman and infrared wave numbers in pyrochlore zirconates R2Zr2O7 (R3+ = La, Nd, Sm, Eu). The calculations of phonons involve five stretching and four bending force constants in the Wilson GF matrix method. The calculated phonon wave numbers are in reasonable agreement with the observed spectra in infrared and Raman excitation zones for all of these isomorphous compounds. The contributions of force constants to each mode show a similar trend of variation for all of these compounds. Furthermore, to validate the established forcefield model, we calculated the standard thermodynamic functions, e.g., molar heat capacity, entropy and enthalpy, and compared the results with the previous experimental data for each compound. Using the derived wave numbers for the acoustic and optical modes, the total phonon contribution to the heat capacity was calculated for all these zirconate compounds. The Schottky heat capacity contributions were also calculated for the magnetic compounds, Nd2Zr2O7, Sm2Zr2O7 and Eu2Zr2O7, taking account of crystal-field level schemes of the lanthanide ions. The derived total heat capacity and the integrated values of molar entropy and molar enthalpy showed satisfactory correlations at low temperatures with the experimental results available in the literature for these compounds. At higher temperatures, the discrepancies may be caused by the anharmonic effects of vibrations, phonon dispersion, distribution of phonon density of states, etc.

Evaluation of FSK models for radiative heat transfer under oxyfuel conditions

NASA Astrophysics Data System (ADS)

Clements, Alastair G.; Porter, Rachael; Pranzitelli, Alessandro; Pourkashanian, Mohamed

2015-01-01

Oxyfuel is a promising technology for carbon capture and storage (CCS) applied to combustion processes. It would be highly advantageous in the deployment of CCS to be able to model and optimise oxyfuel combustion, however the increased concentrations of CO2 and H2O under oxyfuel conditions modify several fundamental processes of combustion, including radiative heat transfer. This study uses benchmark narrow band radiation models to evaluate the influence of assumptions in global full-spectrum k-distribution (FSK) models, and whether they are suitable for modelling radiation in computational fluid dynamics (CFD) calculations of oxyfuel combustion. The statistical narrow band (SNB) and correlated-k (CK) models are used to calculate benchmark data for the radiative source term and heat flux, which are then compared to the results calculated from FSK models. Both the full-spectrum correlated k (FSCK) and the full-spectrum scaled k (FSSK) models are applied using up-to-date spectral data. The results show that the FSCK and FSSK methods achieve good agreement in the test cases. The FSCK method using a five-point Gauss quadrature scheme is recommended for CFD calculations in oxyfuel conditions, however there are still potential inaccuracies in cases with very wide variations in the ratio between CO2 and H2O concentrations.

Spin-dependent Otto quantum heat engine based on a molecular substance

NASA Astrophysics Data System (ADS)

Hübner, W.; Lefkidis, G.; Dong, C. D.; Chaudhuri, D.; Chotorlishvili, L.; Berakdar, J.

2014-07-01

We explore the potential of single molecules for thermodynamic cycles. To this end we propose two molecular heat engines based on the Ni2 dimer in the presence of a static magnetic field: (a) a quantum Otto engine and (b) a modified quantum Otto engine for which optical excitations induced by a laser pulse substitute for one of the heat-exchange points. For reliable predictions and to inspect the role of spin and electronic correlations we perform fully correlated ab initio calculations of the molecular electronic structure including spin-orbital effects. We analyze the efficiency of the engines in dependence of the electronic level scheme and the entanglement and find a significant possible enhancement connected to the quantum nature and the heat capacity of the dimer, as well as to the zero-field triplet states splitting.

Satellite Radiothermovision on Synoptic and Climatically Significant Scales

NASA Astrophysics Data System (ADS)

Ermakov, D. M.; Sharkov, E. A.; Chernushich, A. P.

2017-12-01

This paper is focused on the development of a methodological basis for the authors' approach to the processing of large volumes of satellite radiothermal data, which is known as satellite radiothermovision. A closed scheme for calculating the latent heat flux (and other integral characteristics of the dynamics of geophysical fields) through arbitrary contours (boundaries) has been constructed and mathematically described. The opportunity for working with static, as well as movable and deformable boundaries of arbitrary shape, has been provided. The computational scheme was tested using the example of calculations of the atmospheric advection of the latent heat from the North Atlantics to the Arctic in 2014. Preliminary analysis of the results showed a high potential of the approach when applying it to the study of a wide range of synoptic and climatically significant atmospheric processes of the Earth. Some areas for the further development of the satellite radiothermovision approach are briefly discussed. It is noted that expanding the analysis of the available satellite data to as much data as possible is of considerable importance. Among the immediate prospects is the analysis of large arrays of data already accumulated and processed in terms of the satellite radiothermovision ideology, which are partially presented and continuously updated on a specialized geoportal.

ExoCross: Spectra from molecular line lists

NASA Astrophysics Data System (ADS)

Yurchenko, Sergei N.; Al-Refaie, Ahmed; Tennyson, Jonathan

2018-03-01

ExoCross generates spectra and thermodynamic properties from molecular line lists in ExoMol, HITRAN, or several other formats. The code is parallelized and also shows a high degree of vectorization; it works with line profiles such as Doppler, Lorentzian and Voigt and supports several broadening schemes. ExoCross is also capable of working with the recently proposed method of super-lines. It supports calculations of lifetimes, cooling functions, specific heats and other properties. ExoCross converts between different formats, such as HITRAN, ExoMol and Phoenix, and simulates non-LTE spectra using a simple two-temperature approach. Different electronic, vibronic or vibrational bands can be simulated separately using an efficient filtering scheme based on the quantum numbers.

Massive parallel 3D PIC simulation of negative ion extraction

NASA Astrophysics Data System (ADS)

Revel, Adrien; Mochalskyy, Serhiy; Montellano, Ivar Mauricio; Wünderlich, Dirk; Fantz, Ursel; Minea, Tiberiu

2017-09-01

The 3D PIC-MCC code ONIX is dedicated to modeling Negative hydrogen/deuterium Ion (NI) extraction and co-extraction of electrons from radio-frequency driven, low pressure plasma sources. It provides valuable insight on the complex phenomena involved in the extraction process. In previous calculations, a mesh size larger than the Debye length was used, implying numerical electron heating. Important steps have been achieved in terms of computation performance and parallelization efficiency allowing successful massive parallel calculations (4096 cores), imperative to resolve the Debye length. In addition, the numerical algorithms have been improved in terms of grid treatment, i.e., the electric field near the complex geometry boundaries (plasma grid) is calculated more accurately. The revised model preserves the full 3D treatment, but can take advantage of a highly refined mesh. ONIX was used to investigate the role of the mesh size, the re-injection scheme for lost particles (extracted or wall absorbed), and the electron thermalization process on the calculated extracted current and plasma characteristics. It is demonstrated that all numerical schemes give the same NI current distribution for extracted ions. Concerning the electrons, the pair-injection technique is found well-adapted to simulate the sheath in front of the plasma grid.

The study of PDF turbulence models in combustion

NASA Technical Reports Server (NTRS)

Hsu, Andrew T.

1991-01-01

In combustion computations, it is known that the predictions of chemical reaction rates are poor if conventional turbulence models are used. The probability density function (pdf) method seems to be the only alternative that uses local instantaneous values of the temperature, density, etc., in predicting chemical reaction rates, and thus is the only viable approach for more accurate turbulent combustion calculations. The fact that the pdf equation has a very large dimensionality renders finite difference schemes extremely demanding on computer memories and thus impractical. A logical alternative is the Monte Carlo scheme. Since CFD has a certain maturity as well as acceptance, it seems that the use of a combined CFD and Monte Carlo scheme is more beneficial. Therefore, a scheme is chosen that uses a conventional CFD flow solver in calculating the flow field properties such as velocity, pressure, etc., while the chemical reaction part is solved using a Monte Carlo scheme. The discharge of a heated turbulent plane jet into quiescent air was studied. Experimental data for this problem shows that when the temperature difference between the jet and the surrounding air is small, buoyancy effect can be neglected and the temperature can be treated as a passive scalar. The fact that jet flows have a self-similar solution lends convenience in the modeling study. Futhermore, the existence of experimental data for turbulent shear stress and temperature variance make the case ideal for the testing of pdf models wherein these values can be directly evaluated.

Cabauw experimental results from the Project for Intercomparison of Land-Surface Parameterization Schemes

USGS Publications Warehouse

Chen, T.H.; Henderson-Sellers, A.; Milly, P.C.D.; Pitman, A.J.; Beljaars, A.C.M.; Polcher, J.; Abramopoulos, F.; Boone, A.; Chang, S.; Chen, F.; Dai, Y.; Desborough, C.E.; Dickinson, R.E.; Dumenil, L.; Ek, M.; Garratt, J.R.; Gedney, N.; Gusev, Y.M.; Kim, J.; Koster, R.; Kowalczyk, E.A.; Laval, K.; Lean, J.; Lettenmaier, D.; Liang, X.; Mahfouf, Jean-Francois; Mengelkamp, H.-T.; Mitchell, Ken; Nasonova, O.N.; Noilhan, J.; Robock, A.; Rosenzweig, C.; Schaake, J.; Schlosser, C.A.; Schulz, J.-P.; Shao, Y.; Shmakin, A.B.; Verseghy, D.L.; Wetzel, P.; Wood, E.F.; Xue, Y.; Yang, Z.-L.; Zeng, Q.

1997-01-01

In the Project for Intercomparison of Land-Surface Parameterization Schemes phase 2a experiment, meteorological data for the year 1987 from Cabauw, the Netherlands, were used as inputs to 23 land-surface flux schemes designed for use in climate and weather models. Schemes were evaluated by comparing their outputs with long-term measurements of surface sensible heat fluxes into the atmosphere and the ground, and of upward longwave radiation and total net radiative fluxes, and also comparing them with latent heat fluxes derived from a surface energy balance. Tuning of schemes by use of the observed flux data was not permitted. On an annual basis, the predicted surface radiative temperature exhibits a range of 2 K across schemes, consistent with the range of about 10 W m-2 in predicted surface net radiation. Most modeled values of monthly net radiation differ from the observations by less than the estimated maximum monthly observational error (±10 W m-2). However, modeled radiative surface temperature appears to have a systematic positive bias in most schemes; this might be explained by an error in assumed emissivity and by models' neglect of canopy thermal heterogeneity. Annual means of sensible and latent heat fluxes, into which net radiation is partitioned, have ranges across schemes of 30 W m-2 and 25 W m-2, respectively. Annual totals of evapotranspiration and runoff, into which the precipitation is partitioned, both have ranges of 315 mm. These ranges in annual heat and water fluxes were approximately halved upon exclusion of the three schemes that have no stomatal resistance under non-water-stressed conditions. Many schemes tend to underestimate latent heat flux and overestimate sensible heat flux in summer, with a reverse tendency in winter. For six schemes, root-mean-square deviations of predictions from monthly observations are less than the estimated upper bounds on observation errors (5 W m-2 for sensible heat flux and 10 W m-2 for latent heat flux). Actual runoff at the site is believed to be dominated by vertical drainage to groundwater, but several schemes produced significant amounts of runoff as overland flow or interflow. There is a range across schemes of 184 mm (40% of total pore volume) in the simulated annual mean root-zone soil moisture. Unfortunately, no measurements of soil moisture were available for model evaluation. A theoretical analysis suggested that differences in boundary conditions used in various schemes are not sufficient to explain the large variance in soil moisture. However, many of the extreme values of soil moisture could be explained in terms of the particulars of experimental setup or excessive evapotranspiration.

Cabauw Experimental Results from the Project for Intercomparison of Land-Surface Parameterization Schemes.

NASA Astrophysics Data System (ADS)

Chen, T. H.; Henderson-Sellers, A.; Milly, P. C. D.; Pitman, A. J.; Beljaars, A. C. M.; Polcher, J.; Abramopoulos, F.; Boone, A.; Chang, S.; Chen, F.; Dai, Y.; Desborough, C. E.; Dickinson, R. E.; Dümenil, L.; Ek, M.; Garratt, J. R.; Gedney, N.; Gusev, Y. M.;  Kim, J.;  Koster, R.;  Kowalczyk, E. A.;  Laval, K.;  Lean, J.;  Lettenmaier, D.;  Liang, X.;  Mahfouf, J.-F.;  Mengelkamp, H.-T.;  Mitchell, K.;  Nasonova, O. N.;  Noilhan, J.;  Robock, A.;  Rosenzweig, C.;  Schaake, J.;  Schlosser, C. A.;  Schulz, J.-P.;  Shao, Y.;  Shmakin, A. B.;  Verseghy, D. L.;  Wetzel, P.;  Wood, E. F.;  Xue, Y.;  Yang, Z.-L.;  Zeng, Q.

1997-06-01

In the Project for Intercomparison of Land-Surface Parameterization Schemes phase 2a experiment, meteorological data for the year 1987 from Cabauw, the Netherlands, were used as inputs to 23 land-surface flux schemes designed for use in climate and weather models. Schemes were evaluated by comparing their outputs with long-term measurements of surface sensible heat fluxes into the atmosphere and the ground, and of upward longwave radiation and total net radiative fluxes, and also comparing them with latent heat fluxes derived from a surface energy balance. Tuning of schemes by use of the observed flux data was not permitted. On an annual basis, the predicted surface radiative temperature exhibits a range of 2 K across schemes, consistent with the range of about 10 W m2 in predicted surface net radiation. Most modeled values of monthly net radiation differ from the observations by less than the estimated maximum monthly observational error (±10 W m2). However, modeled radiative surface temperature appears to have a systematic positive bias in most schemes; this might be explained by an error in assumed emissivity and by models' neglect of canopy thermal heterogeneity. Annual means of sensible and latent heat fluxes, into which net radiation is partitioned, have ranges across schemes of30 W m2 and 25 W m2, respectively. Annual totals of evapotranspiration and runoff, into which the precipitation is partitioned, both have ranges of 315 mm. These ranges in annual heat and water fluxes were approximately halved upon exclusion of the three schemes that have no stomatal resistance under non-water-stressed conditions. Many schemes tend to underestimate latent heat flux and overestimate sensible heat flux in summer, with a reverse tendency in winter. For six schemes, root-mean-square deviations of predictions from monthly observations are less than the estimated upper bounds on observation errors (5 W m2 for sensible heat flux and 10 W m2 for latent heat flux). Actual runoff at the site is believed to be dominated by vertical drainage to groundwater, but several schemes produced significant amounts of runoff as overland flow or interflow. There is a range across schemes of 184 mm (40% of total pore volume) in the simulated annual mean root-zone soil moisture. Unfortunately, no measurements of soil moisture were available for model evaluation. A theoretical analysis suggested that differences in boundary conditions used in various schemes are not sufficient to explain the large variance in soil moisture. However, many of the extreme values of soil moisture could be explained in terms of the particulars of experimental setup or excessive evapotranspiration.

Poly(4-vinylphenol) gate insulator with cross-linking using a rapid low-power microwave induction heating scheme for organic thin-film-transistors

NASA Astrophysics Data System (ADS)

Fan, Ching-Lin; Shang, Ming-Chi; Hsia, Mao-Yuan; Wang, Shea-Jue; Huang, Bohr-Ran; Lee, Win-Der

2016-03-01

A Microwave-Induction Heating (MIH) scheme is proposed for the poly(4-vinylphenol) (PVP) gate insulator cross-linking process to replace the traditional oven heating cross-linking process. The cross-linking time is significantly decreased from 1 h to 5 min by heating the metal below the PVP layer using microwave irradiation. The necessary microwave power was substantially reduced to about 50 W by decreasing the chamber pressure. The MIH scheme is a good candidate to replace traditional thermal heating for cross-linking of PVP as the gate insulator for organic thin-film-transistors.

Rapid generation of Mott insulators from arrays of noncondensed atoms

NASA Astrophysics Data System (ADS)

Sturm, M. R.; Schlosser, M.; Birkl, G.; Walser, R.

2018-06-01

We theoretically analyze a scheme for a fast adiabatic transfer of cold atoms from the atomic limit of isolated traps to a Mott insulator close to the superfluid phase. This gives access to the Bose-Hubbard physics without the need of a prior Bose-Einstein condensate. The initial state can be prepared by combining the deterministic assembly of atomic arrays with resolved Raman-sideband cooling. In the subsequent transfer the trap depth is reduced significantly. We derive conditions for the adiabaticity of this process and calculate optimal adiabatic ramp shapes. Using available experimental parameters, we estimate the impact of heating due to photon scattering and compute the fidelity of the transfer scheme. Finally, we discuss the particle number scaling behavior of the method for preparing low-entropy states. Our findings demonstrate the feasibility of the proposed scheme with state-of-the-art technology.

Effect of heating scheme on SOL width in DIII-D and EAST

DOE PAGES

Wang, L.; Makowski, M. A.; Guo, H. Y.; ...

2017-03-10

Joint DIII-D/EAST experiments in the radio-frequency (RF) heated H-mode scheme with comparison to that of neutral beam (NB) heated H-mode scheme were carried out on DIII-D and EAST under similar conditions to examine the effect of heating scheme on scrape-off layer (SOL) width in H-mode plasmas for application to ITER. A dimensionally similar plasma equilibrium was used to match the EAST shape parameters. The divertor heat flux and SOL widths were measured with infra-red camera in DIII-D, while with divertor Langmuir probe array in EAST. It has been demonstrated on both DIII-D and EAST that RF-heated plasma has a broadermore » SOL than NB-heated plasma when the edge electrons are effectively heated in low plasma current and low density regime with low edge collisionality. Detailed edge and pedestal profile analysis on DIII-D suggests that the low edge collisionality and ion orbit loss effect may account for the observed broadening. Finally, the joint experiment in DIII-D has also demonstrated the strong inverse dependence of SOL width on the plasma current in electron cyclotron heated (ECH) H-mode plasmas.« less

Effect of heating scheme on SOL width in DIII-D and EAST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, L.; Makowski, M. A.; Guo, H. Y.

Joint DIII-D/EAST experiments in the radio-frequency (RF) heated H-mode scheme with comparison to that of neutral beam (NB) heated H-mode scheme were carried out on DIII-D and EAST under similar conditions to examine the effect of heating scheme on scrape-off layer (SOL) width in H-mode plasmas for application to ITER. A dimensionally similar plasma equilibrium was used to match the EAST shape parameters. The divertor heat flux and SOL widths were measured with infra-red camera in DIII-D, while with divertor Langmuir probe array in EAST. It has been demonstrated on both DIII-D and EAST that RF-heated plasma has a broadermore » SOL than NB-heated plasma when the edge electrons are effectively heated in low plasma current and low density regime with low edge collisionality. Detailed edge and pedestal profile analysis on DIII-D suggests that the low edge collisionality and ion orbit loss effect may account for the observed broadening. Finally, the joint experiment in DIII-D has also demonstrated the strong inverse dependence of SOL width on the plasma current in electron cyclotron heated (ECH) H-mode plasmas.« less

Numerical simulation of fire vortex

NASA Astrophysics Data System (ADS)

Barannikova, D. D.; Borzykh, V. E.; Obukhov, A. G.

2018-05-01

The article considers the numerical simulation of the swirling flow of air around the smoothly heated vertical cylindrical domain in the conditions of gravity and Coriolis forces action. The solutions of the complete system of Navie-Stocks equations are numerically solved at constant viscosity and heat conductivity factors. Along with the proposed initial and boundary conditions, these solutions describe the complex non-stationary 3D flows of viscous compressible heat conducting gas. For various instants of time of the initial flow formation stage using the explicit finite-difference scheme the calculations of all gas dynamics parameters, that is density, temperature, pressure and three velocity components of gas particles, have been run. The current instant lines corresponding to the trajectories of the particles movement in the emerging flow have been constructed. A negative direction of the air flow swirling occurred in the vertical cylindrical domain heating has been defined.

Sub-picowatt/kelvin resistive thermometry for probing nanoscale thermal transport.

PubMed

Zheng, Jianlin; Wingert, Matthew C; Dechaumphai, Edward; Chen, Renkun

2013-11-01

Advanced instrumentation in thermometry holds the key for experimentally probing fundamental heat transfer physics. However, instrumentation with simultaneously high thermometry resolution and low parasitic heat conduction is still not available today. Here we report a resistive thermometry scheme with ~50 μK temperature resolution and ~0.25 pW/K thermal conductance resolution, which is achieved through schemes using both modulated heating and common mode noise rejection. The suspended devices used herein have been specifically designed to possess short thermal time constants and minimal attenuation effects associated with the modulated heating current. Furthermore, we have systematically characterized the parasitic background heat conductance, which is shown to be significantly reduced using the new device design and can be effectively eliminated using a "canceling" scheme. Our results pave the way for probing fundamental nanoscale thermal transport processes using a general scheme based on resistive thermometry.

Influence of the variable thermophysical properties on the turbulent buoyancy-driven airflow inside open square cavities

NASA Astrophysics Data System (ADS)

Zamora, Blas; Kaiser, Antonio S.

2012-01-01

The effects of the air variable properties (density, viscosity and thermal conductivity) on the buoyancy-driven flows established in open square cavities are investigated, as well as the influence of the stated boundary conditions at open edges and the employed differencing scheme. Two-dimensional, laminar, transitional and turbulent simulations are obtained, considering both uniform wall temperature and uniform heat flux heating conditions. In transitional and turbulent cases, the low-Reynolds k - ω turbulence model is employed. The average Nusselt number and the dimensionless mass-flow rate have been obtained for a wide and not yet covered range of the Rayleigh number varying from 103 to 1016. The results obtained taking into account variable properties effects are compared with those calculated assuming constant properties and the Boussinesq approximation. For uniform heat flux heating, a correlation for the critical heating parameter above which the burnout phenomenon can be obtained is presented, not reported in previous works. The effects of variable properties on the flow patterns are analyzed.

A solid reactor core thermal model for nuclear thermal rockets

NASA Astrophysics Data System (ADS)

Rider, William J.; Cappiello, Michael W.; Liles, Dennis R.

1991-01-01

A Helium/Hydrogen Cooled Reactor Analysis (HERA) computer code has been developed. HERA has the ability to model arbitrary geometries in three dimensions, which allows the user to easily analyze reactor cores constructed of prismatic graphite elements. The code accounts for heat generation in the fuel, control rods, and other structures; conduction and radiation across gaps; convection to the coolant; and a variety of boundary conditions. The numerical solution scheme has been optimized for vector computers, making long transient analyses economical. Time integration is either explicit or implicit, which allows the use of the model to accurately calculate both short- or long-term transients with an efficient use of computer time. Both the basic spatial and temporal integration schemes have been benchmarked against analytical solutions.

Electricity storage using a thermal storage scheme

NASA Astrophysics Data System (ADS)

White, Alexander

2015-01-01

The increasing use of renewable energy technologies for electricity generation, many of which have an unpredictably intermittent nature, will inevitably lead to a greater demand for large-scale electricity storage schemes. For example, the expanding fraction of electricity produced by wind turbines will require either backup or storage capacity to cover extended periods of wind lull. This paper describes a recently proposed storage scheme, referred to here as Pumped Thermal Storage (PTS), and which is based on "sensible heat" storage in large thermal reservoirs. During the charging phase, the system effectively operates as a high temperature-ratio heat pump, extracting heat from a cold reservoir and delivering heat to a hot one. In the discharge phase the processes are reversed and it operates as a heat engine. The round-trip efficiency is limited only by process irreversibilities (as opposed to Second Law limitations on the coefficient of performance and the thermal efficiency of the heat pump and heat engine respectively). PTS is currently being developed in both France and England. In both cases, the schemes operate on the Joule-Brayton (gas turbine) cycle, using argon as the working fluid. However, the French scheme proposes the use of turbomachinery for compression and expansion, whereas for that being developed in England reciprocating devices are proposed. The current paper focuses on the impact of the various process irreversibilities on the thermodynamic round-trip efficiency of the scheme. Consideration is given to compression and expansion losses and pressure losses (in pipe-work, valves and thermal reservoirs); heat transfer related irreversibility in the thermal reservoirs is discussed but not included in the analysis. Results are presented demonstrating how the various loss parameters and operating conditions influence the overall performance.

Mathematical simulation of the drying of suspensions and colloidal solutions by their depressurization

NASA Astrophysics Data System (ADS)

Lashkov, V. A.; Levashko, E. I.; Safin, R. G.

2006-05-01

The heat and mass transfer in the process of drying of high-humidity materials by their depressurization has been investigated. The results of experimental investigation and mathematical simulation of the indicated process are presented. They allow one to determine the regularities of this process and predict the quality of the finished product. A technological scheme and an engineering procedure for calculating the drying of the liquid base of a soap are presented.

Developing a Procedure for Segmenting Meshed Heat Networks of Heat Supply Systems without Outflows

NASA Astrophysics Data System (ADS)

Tokarev, V. V.

2018-06-01

The heat supply systems of cities have, as a rule, a ring structure with the possibility of redistributing the flows. Despite the fact that a ring structure is more reliable than a radial one, the operators of heat networks prefer to use them in normal modes according to the scheme without overflows of the heat carrier between the heat mains. With such a scheme, it is easier to adjust the networks and to detect and locate faults in them. The article proposes a formulation of the heat network segmenting problem. The problem is set in terms of optimization with the heat supply system's excessive hydraulic power used as the optimization criterion. The heat supply system computer model has a hierarchically interconnected multilevel structure. Since iterative calculations are only carried out for the level of trunk heat networks, decomposing the entire system into levels allows the dimensionality of the solved subproblems to be reduced by an order of magnitude. An attempt to solve the problem by fully enumerating possible segmentation versions does not seem to be feasible for systems of really existing sizes. The article suggests a procedure for searching rational segmentation of heat supply networks with limiting the search to versions of dividing the system into segments near the flow convergence nodes with subsequent refining of the solution. The refinement is performed in two stages according to the total excess hydraulic power criterion. At the first stage, the loads are redistributed among the sources. After that, the heat networks are divided into independent fragments, and the possibility of increasing the excess hydraulic power in the obtained fragments is checked by shifting the division places inside a fragment. The proposed procedure has been approbated taking as an example a municipal heat supply system involving six heat mains fed from a common source, 24 loops within the feeding mains plane, and more than 5000 consumers. Application of the proposed segmentation procedure made it possible to find a version with required hydraulic power in the heat supply system on 3% less than the one found using the simultaneous segmentation method.

Evolutionary algorithm based heuristic scheme for nonlinear heat transfer equations.

PubMed

Ullah, Azmat; Malik, Suheel Abdullah; Alimgeer, Khurram Saleem

2018-01-01

In this paper, a hybrid heuristic scheme based on two different basis functions i.e. Log Sigmoid and Bernstein Polynomial with unknown parameters is used for solving the nonlinear heat transfer equations efficiently. The proposed technique transforms the given nonlinear ordinary differential equation into an equivalent global error minimization problem. Trial solution for the given nonlinear differential equation is formulated using a fitness function with unknown parameters. The proposed hybrid scheme of Genetic Algorithm (GA) with Interior Point Algorithm (IPA) is opted to solve the minimization problem and to achieve the optimal values of unknown parameters. The effectiveness of the proposed scheme is validated by solving nonlinear heat transfer equations. The results obtained by the proposed scheme are compared and found in sharp agreement with both the exact solution and solution obtained by Haar Wavelet-Quasilinearization technique which witnesses the effectiveness and viability of the suggested scheme. Moreover, the statistical analysis is also conducted for investigating the stability and reliability of the presented scheme.

Investigation of combustion characteristics in a scramjet combustor using a modified flamelet model

NASA Astrophysics Data System (ADS)

Zhao, Guoyan; Sun, Mingbo; Wang, Hongbo; Ouyang, Hao

2018-07-01

In this study, the characteristics of supersonic combustion inside an ethylene-fueled scramjet combustor equipped with multi-cavities were investigated with different injection schemes. Experimental results showed that the flames concentrated in the cavity and separated boundary layer downstream of the cavity, and they occupied the flow channel further enhancing the bulk flow compression. The flame structure in distributed injection scheme differed from that in centralized injection scheme. In numerical simulations, a modified flamelet model was introduced to consider that the pressure distribution is far from homogenous inside the scramjet combustor. Compared with original flamelet model, numerical predictions based on the modified model showed better agreement with the experimental results, validating the reliability of the calculations. Based on the modified model, the simulations with different injection schemes were analysed. The predicted flame agreed reasonably with the experimental observations in structure. The CO masses were concentrated in cavity and subsonic region adjacent to the cavity shear layer leading to intense heat release. Compared with centralized scheme, the higher jet mixing efficiency in distributed scheme induced an intense combustion in posterior upper cavity and downstream of the cavity. From streamline and isolation surfaces, the combustion at trail of lower cavity was depressed since the bulk flow downstream of the cavity is pushed down.

Numerical Modeling of Conjugate Heat Transfer in Fluid Network

NASA Technical Reports Server (NTRS)

Majumdar, Alok

2004-01-01

Fluid network modeling with conjugate heat transfer has many applications in Aerospace engineering. In modeling unsteady flow with heat transfer, it is important to know the variation of wall temperature in time and space to calculate heat transfer between solid to fluid. Since wall temperature is a function of flow, a coupled analysis of temperature of solid and fluid is necessary. In cryogenic applications, modeling of conjugate heat transfer is of great importance to correctly predict boil-off rate in propellant tanks and chill down of transfer lines. In TFAWS 2003, the present author delivered a paper to describe a general-purpose computer program, GFSSP (Generalized Fluid System Simulation Program). GFSSP calculates flow distribution in complex flow circuit for compressible/incompressible, with or without heat transfer or phase change in all real fluids or mixtures. The flow circuit constitutes of fluid nodes and branches. The mass, energy and specie conservation equations are solved at the nodes where as momentum conservation equations are solved at the branches. The proposed paper describes the extension of GFSSP to model conjugate heat transfer. The network also includes solid nodes and conductors in addition to fluid nodes and branches. The energy conservation equations for solid nodes solves to determine the temperatures of the solid nodes simultaneously with all conservation equations governing fluid flow. The numerical scheme accounts for conduction, convection and radiation heat transfer. The paper will also describe the applications of the code to predict chill down of cryogenic transfer line and boil-off rate of cryogenic propellant storage tank.

The effect of atmospheric diabatic heating on low-frequency oscillations

NASA Astrophysics Data System (ADS)

Yen, Ming-Cheng

A diagnostic scheme is devised to illustrate a chain relationship between diabatic heating and planetary-scale divergent and rotational circulations. The scheme consists of the velocity-potential maintenance equation, which relates diabatic heating and velocity potential, and the streamfunction budget equation, which depicts the streamfunction tendency caused by the imbalance between streamfunction tendencies induced by vorticity advection and source. The proposed scheme is employed to examine the effect of tropical diabatic heating on the annual variation of subtropical jet streams. It was found that annual variations of both tropical diabatic heating and planetary-scale divergent circulation exhibit an annual in-phase seesaw oscillation between the winter and summer hemispheres. The annual variation of subtropical jet streams is caused by the adjustment of atmospheric rotational flow through planetary-scale divergent circulation in response to the annual cycle of tropical diabatic heating.

A Multi-Moment Bulkwater Ice Microphysics Scheme with Consideration of the Adaptive Growth Habit and Apparent Density for Pristine Ice in the WRF Model

NASA Astrophysics Data System (ADS)

Tsai, T. C.; Chen, J. P.; Dearden, C.

2014-12-01

The wide variety of ice crystal shapes and growth habits makes it a complicated issue in cloud models. This study developed the bulk ice adaptive habit parameterization based on the theoretical approach of Chen and Lamb (1994) and introduced a 6-class hydrometeors double-moment (mass and number) bulk microphysics scheme with gamma-type size distribution function. Both the proposed schemes have been implemented into the Weather Research and Forecasting model (WRF) model forming a new multi-moment bulk microphysics scheme. Two new moments of ice crystal shape and volume are included for tracking pristine ice's adaptive habit and apparent density. A closure technique is developed to solve the time evolution of the bulk moments. For the verification of the bulk ice habit parameterization, some parcel-type (zero-dimension) calculations were conducted and compared with binned numerical calculations. The results showed that: a flexible size spectrum is important in numerical accuracy, the ice shape can significantly enhance the diffusional growth, and it is important to consider the memory of growth habit (adaptive growth) under varying environmental conditions. Also, the derived results with the 3-moment method were much closer to the binned calculations. A field campaign of DIAMET was selected to simulate in the WRF model for real-case studies. The simulations were performed with the traditional spherical ice and the new adaptive shape schemes to evaluate the effect of crystal habits. Some main features of narrow rain band, as well as the embedded precipitation cells, in the cold front case were well captured by the model. Furthermore, the simulations produced a good agreement in the microphysics against the aircraft observations in ice particle number concentration, ice crystal aspect ratio, and deposition heating rate especially within the temperature region of ice secondary multiplication production.

HEAT TRANSFER TO LIQUID METALS FLOWING THROUGH A PIPELINE (in Russian)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borishanskii, V.M.; Zablotskaya, T.V.; Ivashchenko, N.I.

1963-03-01

A scheme involving the superposition of three layers of heat flow onto the high thermal-conductivity liquid flowing with a Prandtl number Pr << 1 was previously proposed (Atomnaya Energ. 11, 426(1961) No. 5; also Second Conference on Theoretical and Applied Magnetohydrodynamics, Riga, 1962). The analytical determination of these thermal layer boundaries was based on the premise that the dimensionless temperature and velocity fields coincide in the region where the dynamic and thermal cores are turbulent; the boundary of the adherent layer in which molecular transfer takes place was determined by a newly derived formula. Results of the calculations of twomore » variants of the superimposition of thermal and dynamic layers were plotted and compared with each other. For an experimental study, the heat transfer to liquid Na flowing through a 40-mmdiam. vertical Cu pipe was determined. The results agreed well with the values obtained by the three-layer calculations. Determination of the O content of Na showed that the heat transfer is dependent on the average O content and also on the flow rate of the Na stream. As the O content that was encountered exceeded the solubility limit, a portion of the oxides was probably present in the suspended state. (TTT)« less

Heat Mining or Replenishable Geothermal Energy? A Project for Advanced-Level Physics Students

ERIC Educational Resources Information Center

Dugdale, Pam

2014-01-01

There is growing interest in the use of low enthalpy geothermal (LEG) energy schemes, whereby heated water is extracted from sandstone aquifers for civic heating projects. While prevalent in countries with volcanic activity, a recently proposed scheme for Manchester offered the perfect opportunity to engage students in the viability of this form…

Sea ice-atmosphere interaction: Application of multispectral satellite data in polar surface energy flux estimates

NASA Technical Reports Server (NTRS)

Steffen, K.; Schweiger, A.; Maslanik, J.; Key, J.; Weaver, R.; Barry, R.

1990-01-01

The application of multi-spectral satellite data to estimate polar surface energy fluxes is addressed. To what accuracy and over which geographic areas large scale energy budgets can be estimated are investigated based upon a combination of available remote sensing and climatological data sets. The general approach was to: (1) formulate parameterization schemes for the appropriate sea ice energy budget terms based upon the remotely sensed and/or in-situ data sets; (2) conduct sensitivity analyses using as input both natural variability (observed data in regional case studies) and theoretical variability based upon energy flux model concepts; (3) assess the applicability of these parameterization schemes to both regional and basin wide energy balance estimates using remote sensing data sets; and (4) assemble multi-spectral, multi-sensor data sets for at least two regions of the Arctic Basin and possibly one region of the Antarctic. The type of data needed for a basin-wide assessment is described and the temporal coverage of these data sets are determined by data availability and need as defined by parameterization scheme. The titles of the subjects are as follows: (1) Heat flux calculations from SSM/I and LANDSAT data in the Bering Sea; (2) Energy flux estimation using passive microwave data; (3) Fetch and stability sensitivity estimates of turbulent heat flux; and (4) Surface temperature algorithm.

Monte Carlo Models to Constrain Temperature Variation in the Lowermost Mantle

NASA Astrophysics Data System (ADS)

Nowacki, A.; Walker, A.; Davies, C. J.

2017-12-01

The three dimensional temperature variation in the lowermost mantle is diagnostic of the pattern of mantle convection and controls the extraction of heat from the outer core. Direct measurement of mantle temperature is impossible and the temperature in the lowermost mantle is poorly constrained. However, since temperature variations indirectly impact many geophysical observables, it is possible to isolate the thermal signal if mantle composition and the physical properties of mantle minerals are known. Here we describe a scheme that allows seismic, geodynamic, and thermal properties of the core and mantle to be calculated given an assumed temperature (T) and mineralogical (X) distribution in the mantle while making use of a self consistent parameterisation of the thermoelastic properties of mantle minerals. For a given T and X, this scheme allows us to determine the misfit between our model and observations for the long-wavelength surface geoid, core-mantle boundary topography, inner-core radius, total surface heat-flux and p- and s-wave tomography. The comparison is quick, taking much less than a second, and can accommodate uncertainty in the mineralogical parameterisation. This makes the scheme well-suited to use in a Monte Carlo approach to the determination of the long-wavelength temperature and composition of the lowermost mantle. We present some initial results from our model, which include the robust generation of a thermal boundary layer in the one-dimensional thermal structure.

Parameterization of bulk condensation in numerical cloud models

NASA Technical Reports Server (NTRS)

Kogan, Yefim L.; Martin, William J.

1994-01-01

The accuracy of the moist saturation adjustment scheme has been evaluated using a three-dimensional explicit microphysical cloud model. It was found that the error in saturation adjustment depends strongly on the Cloud Condensation Nucleii (CCN) concentration in the ambient atmosphere. The scheme provides rather accurate results in the case where a sufficiently large number of CCN (on the order of several hundred per cubic centimeter) is available. However, under conditions typical of marine stratocumulus cloud layers with low CCN concentration, the error in the amounts of condensed water vapor and released latent heat may be as large as 40%-50%. A revision of the saturation adjustment scheme is devised that employs the CCN concentration, dynamical supersaturation, and cloud water content as additional variables in the calculation of the condensation rate. The revised condensation model reduced the error in maximum updraft and cloud water content in the climatically significant case of marine stratocumulus cloud layers by an order of magnitude.

A two-stage heating scheme for heat assisted magnetic recording

NASA Astrophysics Data System (ADS)

Xiong, Shaomin; Kim, Jeongmin; Wang, Yuan; Zhang, Xiang; Bogy, David

2014-05-01

Heat Assisted Magnetic Recording (HAMR) has been proposed to extend the storage areal density beyond 1 Tb/in.2 for the next generation magnetic storage. A near field transducer (NFT) is widely used in HAMR systems to locally heat the magnetic disk during the writing process. However, much of the laser power is absorbed around the NFT, which causes overheating of the NFT and reduces its reliability. In this work, a two-stage heating scheme is proposed to reduce the thermal load by separating the NFT heating process into two individual heating stages from an optical waveguide and a NFT, respectively. As the first stage, the optical waveguide is placed in front of the NFT and delivers part of laser energy directly onto the disk surface to heat it up to a peak temperature somewhat lower than the Curie temperature of the magnetic material. Then, the NFT works as the second heating stage to heat a smaller area inside the waveguide heated area further to reach the Curie point. The energy applied to the NFT in the second heating stage is reduced compared with a typical single stage NFT heating system. With this reduced thermal load to the NFT by the two-stage heating scheme, the lifetime of the NFT can be extended orders longer under the cyclic load condition.

Single-molecule electronics: Cooling individual vibrational modes by the tunneling current.

PubMed

Lykkebo, Jacob; Romano, Giuseppe; Gagliardi, Alessio; Pecchia, Alessandro; Solomon, Gemma C

2016-03-21

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, which typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular "heat sink" where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the "cooling mode," given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lykkebo, Jacob; Solomon, Gemma C., E-mail: gsolomon@nano.ku.dk; Romano, Giuseppe

Electronic devices composed of single molecules constitute the ultimate limit in the continued downscaling of electronic components. A key challenge for single-molecule electronics is to control the temperature of these junctions. Controlling heating and cooling effects in individual vibrational modes can, in principle, be utilized to increase stability of single-molecule junctions under bias, to pump energy into particular vibrational modes to perform current-induced reactions, or to increase the resolution in inelastic electron tunneling spectroscopy by controlling the life-times of phonons in a molecule by suppressing absorption and external dissipation processes. Under bias the current and the molecule exchange energy, whichmore » typically results in heating of the molecule. However, the opposite process is also possible, where energy is extracted from the molecule by the tunneling current. Designing a molecular “heat sink” where a particular vibrational mode funnels heat out of the molecule and into the leads would be very desirable. It is even possible to imagine how the vibrational energy of the other vibrational modes could be funneled into the “cooling mode,” given the right molecular design. Previous efforts to understand heating and cooling mechanisms in single molecule junctions have primarily been concerned with small models, where it is unclear which molecular systems they correspond to. In this paper, our focus is on suppressing heating and obtaining current-induced cooling in certain vibrational modes. Strategies for cooling vibrational modes in single-molecule junctions are presented, together with atomistic calculations based on those strategies. Cooling and reduced heating are observed for two different cooling schemes in calculations of atomistic single-molecule junctions.« less

Multigrid techniques for the solution of the passive scalar advection-diffusion equation

NASA Technical Reports Server (NTRS)

Phillips, R. E.; Schmidt, F. W.

1985-01-01

The solution of elliptic passive scalar advection-diffusion equations is required in the analysis of many turbulent flow and convective heat transfer problems. The accuracy of the solution may be affected by the presence of regions containing large gradients of the dependent variables. The multigrid concept of local grid refinement is a method for improving the accuracy of the calculations in these problems. In combination with the multilevel acceleration techniques, an accurate and efficient computational procedure is developed. In addition, a robust implementation of the QUICK finite-difference scheme is described. Calculations of a test problem are presented to quantitatively demonstrate the advantages of the multilevel-multigrid method.

Transition boiling heat transfer and the film transition regime

NASA Technical Reports Server (NTRS)

Ramilison, J. M.; Lienhard, J. H.

1987-01-01

The Berenson (1960) flat-plate transition-boiling experiment has been recreated with a reduced thermal resistance in the heater, and an improved access to those portions of the transition boiling regime that have a steep negative slope. Tests have been made in Freon-113, acetone, benzene, and n-pentane boiling on horizontal flat copper heaters that have been mirror-polished, 'roughened', or teflon-coated. The resulting data reproduce and clarify certain features observed by Berenson: the modest surface finish dependence of boiling burnout, and the influence of surface chemistry on both the minimum heat flux and the mode of transition boiling, for example. A rational scheme of correlation yields a prediction of the heat flux in what Witte and Lienhard (1982) previously identified as the 'film-transition boiling' region. It is also shown how to calculate the heat flux at the boundary between the pure-film, and the film-transition, boiling regimes, as a function of the advancing contact angle.

Application of CFD to aerothermal heating problems

NASA Technical Reports Server (NTRS)

Macaraeg, M. G.

1986-01-01

Numerical solutions of the compressible Navier-Stokes equations by an alternating direction implicit scheme, applied to two experimental investigations are presented. The first is cooling by injection of a gas jet through the nose of an ogive-cone, and the second is the aerothermal environment in the gap formed by the wing and elevon section of a test model of the space shuttle. The simulations demonstrate that accurate pressure calculations are easily obtained on a coarse grid, while convergence is obtained after the residual reduces by four orders of magnitude. Accurate heating rates, however, require a fine grid solution, with convergence requiring at least a reduction of six orders of magnitude in the residual. The effect of artificial dissipation on numerical results is also assessed.

RTE: A computer code for Rocket Thermal Evaluation

NASA Technical Reports Server (NTRS)

Naraghi, Mohammad H. N.

1995-01-01

The numerical model for a rocket thermal analysis code (RTE) is discussed. RTE is a comprehensive thermal analysis code for thermal analysis of regeneratively cooled rocket engines. The input to the code consists of the composition of fuel/oxidant mixture and flow rates, chamber pressure, coolant temperature and pressure. dimensions of the engine, materials and the number of nodes in different parts of the engine. The code allows for temperature variation in axial, radial and circumferential directions. By implementing an iterative scheme, it provides nodal temperature distribution, rates of heat transfer, hot gas and coolant thermal and transport properties. The fuel/oxidant mixture ratio can be varied along the thrust chamber. This feature allows the user to incorporate a non-equilibrium model or an energy release model for the hot-gas-side. The user has the option of bypassing the hot-gas-side calculations and directly inputting the gas-side fluxes. This feature is used to link RTE to a boundary layer module for the hot-gas-side heat flux calculations.

Thermal management methods for compact high power LED arrays

NASA Astrophysics Data System (ADS)

Christensen, Adam; Ha, Minseok; Graham, Samuel

2007-09-01

The package and system level temperature distributions of a high power (>1W) light emitting diode (LED) array has been investigated using numerical heat flow models. For this analysis, a thermal resistor network model was combined with a 3D finite element submodel of an LED structure to predict system and die level temperatures. The impact of LED array density, LED power density, and active versus passive cooling methods on device operation were calculated. In order to help understand the role of various thermal resistances in cooling such compact arrays, the thermal resistance network was analyzed in order to estimate the contributions from materials as well as active and passive cooling schemes. An analysis of thermal stresses and residual stresses in the die are also calculated based on power dissipation and convection heat transfer coefficients. Results show that the thermal stress in the GaN layer are compressive which can impact the band gap and performance of the LEDs.

Efficiently modelling urban heat storage: an interface conduction scheme in an urban land surface model (aTEB v2.0)

NASA Astrophysics Data System (ADS)

Lipson, Mathew J.; Hart, Melissa A.; Thatcher, Marcus

2017-03-01

Intercomparison studies of models simulating the partitioning of energy over urban land surfaces have shown that the heat storage term is often poorly represented. In this study, two implicit discrete schemes representing heat conduction through urban materials are compared. We show that a well-established method of representing conduction systematically underestimates the magnitude of heat storage compared with exact solutions of one-dimensional heat transfer. We propose an alternative method of similar complexity that is better able to match exact solutions at typically employed resolutions. The proposed interface conduction scheme is implemented in an urban land surface model and its impact assessed over a 15-month observation period for a site in Melbourne, Australia, resulting in improved overall model performance for a variety of common material parameter choices and aerodynamic heat transfer parameterisations. The proposed scheme has the potential to benefit land surface models where computational constraints require a high level of discretisation in time and space, for example at neighbourhood/city scales, and where realistic material properties are preferred, for example in studies investigating impacts of urban planning changes.

An extrapolation scheme for solid-state NMR chemical shift calculations

NASA Astrophysics Data System (ADS)

Nakajima, Takahito

2017-06-01

Conventional quantum chemical and solid-state physical approaches include several problems to accurately calculate solid-state nuclear magnetic resonance (NMR) properties. We propose a reliable computational scheme for solid-state NMR chemical shifts using an extrapolation scheme that retains the advantages of these approaches but reduces their disadvantages. Our scheme can satisfactorily yield solid-state NMR magnetic shielding constants. The estimated values have only a small dependence on the low-level density functional theory calculation with the extrapolation scheme. Thus, our approach is efficient because the rough calculation can be performed in the extrapolation scheme.

Multiply scaled constrained nonlinear equation solvers. [for nonlinear heat conduction problems

NASA Technical Reports Server (NTRS)

Padovan, Joe; Krishna, Lala

1986-01-01

To improve the numerical stability of nonlinear equation solvers, a partitioned multiply scaled constraint scheme is developed. This scheme enables hierarchical levels of control for nonlinear equation solvers. To complement the procedure, partitioned convergence checks are established along with self-adaptive partitioning schemes. Overall, such procedures greatly enhance the numerical stability of the original solvers. To demonstrate and motivate the development of the scheme, the problem of nonlinear heat conduction is considered. In this context the main emphasis is given to successive substitution-type schemes. To verify the improved numerical characteristics associated with partitioned multiply scaled solvers, results are presented for several benchmark examples.

Coupling Effects of Heat and Moisture on the Saturation Processes of Buffer Material in a Deep Geological Repository

NASA Astrophysics Data System (ADS)

Huang, Wei-Hsing

2017-04-01

Clay barrier plays a major role for the isolation of radioactive wastes in a underground repository. This paper investigates the resaturation behavior of clay barrier, with emphasis on the coupling effects of heat and moisture of buffer material in the near-field of a repository during groundwater intrusion processes. A locally available clay named "Zhisin clay" and a standard bentotine material were adopted in the laboratory program. Water uptake tests were conducted on clay specimens compacted at various densities to simulate the intrusion of groundwater into the buffer material. Soil suction of clay specimens was measured by psychrometers embedded in clay specimens and by vapor equilibrium technique conducted at varying temperatures. Using the soil water characteristic curve, an integration scheme was introduced to estimate the hydraulic conductivity of unsaturated clay. The finite element program ABAQUS was then employed to carry out the numerical simulation of the saturation process in the near field of a repository. Results of the numerical simulation were validated using the degree of saturation profile obtained from the water uptake tests on Zhisin clay. The numerical scheme was then extended to establish a model simulating the resaturation process after the closure of a repository. It was found that, due to the variation in suction and thermal conductivity with temperature of clay barrier material, the calculated temperature field shows a reduction as a result of incorporating the hydro-properties in the calculations.

Prospects for Alpha Particle Heating in JET in the Hot Ion Regime

NASA Astrophysics Data System (ADS)

Cordey, J. G.; Keilhacker, M.; Watkins, M. L.

1987-01-01

The prospects for alpha particle heating in JET are discussed. A computational model is developed to represent adequately the neutron yield from JET plasmas heated by neutral beam injection. This neutral beam model, augmented by a simple plasma model, is then used to determine the neutron yields and fusion Q-values anticipated for different heating schemes in future operation of JET with tritium. The relative importance of beam-thermal and thermal-thermal reactions is pointed out and the dependence of the results on, for example, plasma density, temperature, energy confinement and purity is shown. Full 1½-D transport code calculations, based on models developed for ohmic, ICRF and NBI heated JET discharges, are used also to provide a power scan for JET operation in tritium in the low density, high ion temperature regime. The results are shown to be in good agreement with the estimates made using the simple plasma model and indicate that, based on present knowledge, a fusion Q-value in the plasma centre above unity should be achieved in JET.

Modeling the effects of the variability of temperature-related dynamic viscosity on the thermal-affected zone of groundwater heat-pump systems

NASA Astrophysics Data System (ADS)

Lo Russo, Stefano; Taddia, Glenda; Cerino Abdin, Elena

2018-06-01

Thermal perturbation in the subsurface produced in an open-loop groundwater heat pump (GWHP) plant is a complex transport phenomenon affected by several factors, including the exploited aquifer's hydrogeological and thermal characteristics, well construction features, and the temporal dynamics of the plant's groundwater abstraction and reinjection system. Hydraulic conductivity has a major influence on heat transport because plume propagation, which occurs primarily through advection, tends to degrade following conductive heat transport and convection within moving water. Hydraulic conductivity is, in turn, influenced by water reinjection because the dynamic viscosity of groundwater varies with temperature. This paper reports on a computational analysis conducted using FEFLOW software to quantify how the thermal-affected zone (TAZ) is influenced by the variation in dynamic viscosity due to reinjected groundwater in a well-doublet scheme. The modeling results demonstrate non-negligible groundwater dynamic-viscosity variation that affects thermal plume propagation in the aquifer. This influence on TAZ calculation was enhanced for aquifers with high intrinsic permeability and/or substantial temperature differences between abstracted and post-heat-pump-reinjected groundwater.

Modeling the effects of the variability of temperature-related dynamic viscosity on the thermal-affected zone of groundwater heat-pump systems

NASA Astrophysics Data System (ADS)

Lo Russo, Stefano; Taddia, Glenda; Cerino Abdin, Elena

2018-01-01

Thermal perturbation in the subsurface produced in an open-loop groundwater heat pump (GWHP) plant is a complex transport phenomenon affected by several factors, including the exploited aquifer's hydrogeological and thermal characteristics, well construction features, and the temporal dynamics of the plant's groundwater abstraction and reinjection system. Hydraulic conductivity has a major influence on heat transport because plume propagation, which occurs primarily through advection, tends to degrade following conductive heat transport and convection within moving water. Hydraulic conductivity is, in turn, influenced by water reinjection because the dynamic viscosity of groundwater varies with temperature. This paper reports on a computational analysis conducted using FEFLOW software to quantify how the thermal-affected zone (TAZ) is influenced by the variation in dynamic viscosity due to reinjected groundwater in a well-doublet scheme. The modeling results demonstrate non-negligible groundwater dynamic-viscosity variation that affects thermal plume propagation in the aquifer. This influence on TAZ calculation was enhanced for aquifers with high intrinsic permeability and/or substantial temperature differences between abstracted and post-heat-pump-reinjected groundwater.

A Minimal Three-Dimensional Tropical Cyclone Model.

NASA Astrophysics Data System (ADS)

Zhu, Hongyan; Smith, Roger K.; Ulrich, Wolfgang

2001-07-01

A minimal 3D numerical model designed for basic studies of tropical cyclone behavior is described. The model is formulated in coordinates on an f or plane and has three vertical levels, one characterizing a shallow boundary layer and the other two representing the upper and lower troposphere, respectively. It has three options for treating cumulus convection on the subgrid scale and a simple scheme for the explicit release of latent heat on the grid scale. The subgrid-scale schemes are based on the mass-flux models suggested by Arakawa and Ooyama in the late 1960s, but modified to include the effects of precipitation-cooled downdrafts. They differ from one another in the closure that determines the cloud-base mass flux. One closure is based on the assumption of boundary layer quasi-equilibrium proposed by Raymond and Emanuel.It is shown that a realistic hurricane-like vortex develops from a moderate strength initial vortex, even when the initial environment is slightly stable to deep convection. This is true for all three cumulus schemes as well as in the case where only the explicit release of latent heat is included. In all cases there is a period of gestation during which the boundary layer moisture in the inner core region increases on account of surface moisture fluxes, followed by a period of rapid deepening. Precipitation from the convection scheme dominates the explicit precipitation in the early stages of development, but this situation is reversed as the vortex matures. These findings are similar to those of Baik et al., who used the Betts-Miller parameterization scheme in an axisymmetric model with 11 levels in the vertical. The most striking difference between the model results using different convection schemes is the length of the gestation period, whereas the maximum intensity attained is similar for the three schemes. The calculations suggest the hypothesis that the period of rapid development in tropical cyclones is accompanied by a change in the character of deep convection in the inner core region from buoyantly driven, predominantly upright convection to slantwise forced moist ascent.

Projection scheme for a reflected stochastic heat equation with additive noise

NASA Astrophysics Data System (ADS)

Higa, Arturo Kohatsu; Pettersson, Roger

2005-02-01

We consider a projection scheme as a numerical solution of a reflected stochastic heat equation driven by a space-time white noise. Convergence is obtained via a discrete contraction principle and known convergence results for numerical solutions of parabolic variational inequalities.

Regenerative Hydride Heat Pump

NASA Technical Reports Server (NTRS)

Jones, Jack A.

1992-01-01

Hydride heat pump features regenerative heating and single circulation loop. Counterflow heat exchangers accommodate different temperatures of FeTi and LaNi4.7Al0.3 subloops. Heating scheme increases efficiency.

Analysis of steam generator loss-of-feedwater experiments with APROS and RELAP5/MOD3.1 computer codes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Virtanen, E.; Haapalehto, T.; Kouhia, J.

1995-09-01

Three experiments were conducted to study the behavior of the new horizontal steam generator construction of the PACTEL test facility. In the experiments the secondary side coolant level was reduced stepwise. The experiments were calculated with two computer codes RELAP5/MOD3.1 and APROS version 2.11. A similar nodalization scheme was used for both codes to that the results may be compared. Only the steam generator was modelled and the rest of the facility was given as a boundary condition. The results show that both codes calculate well the behaviour of the primary side of the steam generator. On the secondary sidemore » both codes calculate lower steam temperatures in the upper part of the heat exchange tube bundle than was measured in the experiments.« less

VAVUQ, Python and Matlab freeware for Verification and Validation, Uncertainty Quantification

NASA Astrophysics Data System (ADS)

Courtney, J. E.; Zamani, K.; Bombardelli, F. A.; Fleenor, W. E.

2015-12-01

A package of scripts is presented for automated Verification and Validation (V&V) and Uncertainty Quantification (UQ) for engineering codes that approximate Partial Differential Equations (PDFs). The code post-processes model results to produce V&V and UQ information. This information can be used to assess model performance. Automated information on code performance can allow for a systematic methodology to assess the quality of model approximations. The software implements common and accepted code verification schemes. The software uses the Method of Manufactured Solutions (MMS), the Method of Exact Solution (MES), Cross-Code Verification, and Richardson Extrapolation (RE) for solution (calculation) verification. It also includes common statistical measures that can be used for model skill assessment. Complete RE can be conducted for complex geometries by implementing high-order non-oscillating numerical interpolation schemes within the software. Model approximation uncertainty is quantified by calculating lower and upper bounds of numerical error from the RE results. The software is also able to calculate the Grid Convergence Index (GCI), and to handle adaptive meshes and models that implement mixed order schemes. Four examples are provided to demonstrate the use of the software for code and solution verification, model validation and uncertainty quantification. The software is used for code verification of a mixed-order compact difference heat transport solver; the solution verification of a 2D shallow-water-wave solver for tidal flow modeling in estuaries; the model validation of a two-phase flow computation in a hydraulic jump compared to experimental data; and numerical uncertainty quantification for 3D CFD modeling of the flow patterns in a Gust erosion chamber.

Thermochemical recovery of heat contained in flue gases by means of bioethanol conversion

NASA Astrophysics Data System (ADS)

Pashchenko, D. I.

2013-06-01

In the present paper consideration is being given to the use of bioethanol in the schemes of thermochemical recovery of heat contained in exit flue gases. Schematic diagrams illustrate the realization of thermochemical heat recovery by implementing ethanol steam conversion and conversion of ethanol by means of products of its complete combustion. The feasibility of attaining a high degree of recovery of heat contained in flue gases at the moderate temperature (up to 450°C) of combustion components is demonstrated in the example of the energy balance of the system for thermochemical heat recovery. The simplified thermodynamic analysis of the process of ethanol steam conversion was carried out in order to determine possible ranges of variation of process variables (temperature, pressure, composition) of a reaction mixture providing the efficient heat utilization. It was found that at the temperature above 600 K the degree of ethanol conversion is near unity. The equilibrium composition of products of reaction of ethanol steam conversion has been identified for different temperatures at which the process occurs at the ratio H2O/EtOH = 1 and at the pressure of 0.1 MPa. The obtained results of calculation agree well with the experimental data.

Thermal Conductivity of Single-Walled Carbon Nanotube with Internal Heat Source Studied by Molecular Dynamics Simulation

NASA Astrophysics Data System (ADS)

Li, Yuan-Wei; Cao, Bing-Yang

2013-12-01

The thermal conductivity of (5, 5) single-walled carbon nanotubes (SWNTs) with an internal heat source is investigated by using nonequilibrium molecular dynamics (NEMD) simulation incorporating uniform heat source and heat source-and-sink schemes. Compared with SWNTs without an internal heat source, i.e., by a fixed-temperature difference scheme, the thermal conductivity of SWNTs with an internal heat source is much lower, by as much as half in some cases, though it still increases with an increase of the tube length. Based on the theory of phonon dynamics, a function called the phonon free path distribution is defined to develop a simple one-dimensional heat conduction model considering an internal heat source, which can explain diffusive-ballistic heat transport in carbon nanotubes well.

Demonstration of improvement in the signal-to-noise ratio of Thomson scattering signal obtained by using a multi-pass optical cavity on the Tokyo Spherical Tokamak-2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Togashi, H., E-mail: togashi@fusion.k.u-tokyo.ac.jp; Ejiri, A.; Nakamura, K.

2014-11-15

The multi-pass Thomson scattering (TS) scheme enables obtaining many photons by accumulating multiple TS signals. The signal-to-noise ratio (SNR) depends on the accumulation number. In this study, we performed multi-pass TS measurements for ohmically heated plasmas, and the relationship between SNR and the accumulation number was investigated. As a result, improvement of SNR in this experiment indicated similar tendency to that calculated for the background noise dominant situation.

Effects of optimized root water uptake parameterization schemes on water and heat flux simulation in a maize agroecosystem

NASA Astrophysics Data System (ADS)

Cai, Fu; Ming, Huiqing; Mi, Na; Xie, Yanbing; Zhang, Yushu; Li, Rongping

2017-04-01

As root water uptake (RWU) is an important link in the water and heat exchange between plants and ambient air, improving its parameterization is key to enhancing the performance of land surface model simulations. Although different types of RWU functions have been adopted in land surface models, there is no evidence as to which scheme most applicable to maize farmland ecosystems. Based on the 2007-09 data collected at the farmland ecosystem field station in Jinzhou, the RWU function in the Common Land Model (CoLM) was optimized with scheme options in light of factors determining whether roots absorb water from a certain soil layer ( W x ) and whether the baseline cumulative root efficiency required for maximum plant transpiration ( W c ) is reached. The sensibility of the parameters of the optimization scheme was investigated, and then the effects of the optimized RWU function on water and heat flux simulation were evaluated. The results indicate that the model simulation was not sensitive to W x but was significantly impacted by W c . With the original model, soil humidity was somewhat underestimated for precipitation-free days; soil temperature was simulated with obvious interannual and seasonal differences and remarkable underestimations for the maize late-growth stage; and sensible and latent heat fluxes were overestimated and underestimated, respectively, for years with relatively less precipitation, and both were simulated with high accuracy for years with relatively more precipitation. The optimized RWU process resulted in a significant improvement of CoLM's performance in simulating soil humidity, temperature, sensible heat, and latent heat, for dry years. In conclusion, the optimized RWU scheme available for the CoLM model is applicable to the simulation of water and heat flux for maize farmland ecosystems in arid areas.

Study of thermosiphon cooling scheme for the production solenoid of the Mu2e experiment at Fermilab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhanaraj, N.; Kashikhin, V.; Peterson, T.

2014-01-29

A thermosiphon cooling scheme is envisioned for the Production Solenoid of the Mu2e experiment at Fermi National Accelerator Laboratory. The thermosiphon cooling is achieved by indirect cooling with helium at 4.7 K. The siphon tubes are welded to the solenoid outer structure. The anticipated heat loads in the solenoid is presented as well as the cooling scheme design. A thermal model using ANSYS to simulate the temperature gradient is presented. The thermal analysis also makes provisions for including the heat load generated in the coils and structures by the secondary radiation simulated using the MARS 15 code. The impact ofmore » the heat loads from supports on the solenoid cooling is studied. The thermosiphon cooling scheme is also validated using pertinent correlations to study flow reversals and the cooling regime.« less

GHI calculation sensitivity on microphysics, land- and cumulus parameterization in WRF over the Reunion Island

NASA Astrophysics Data System (ADS)

De Meij, A.; Vinuesa, J.-F.; Maupas, V.

2018-05-01

The sensitivity of different microphysics and dynamics schemes on calculated global horizontal irradiation (GHI) values in the Weather Research Forecasting (WRF) model is studied. 13 sensitivity simulations were performed for which the microphysics, cumulus parameterization schemes and land surface models were changed. Firstly we evaluated the model's performance by comparing calculated GHI values for the Base Case with observations for the Reunion Island for 2014. In general, the model calculates the largest bias during the austral summer. This indicates that the model is less accurate in timing the formation and dissipation of clouds during the summer, when higher water vapor quantities are present in the atmosphere than during the austral winter. Secondly, the model sensitivity on changing the microphysics, cumulus parameterization and land surface models on calculated GHI values is evaluated. The sensitivity simulations showed that changing the microphysics from the Thompson scheme (or Single-Moment 6-class scheme) to the Morrison double-moment scheme, the relative bias improves from 45% to 10%. The underlying reason for this improvement is that the Morrison double-moment scheme predicts the mass and number concentrations of five hydrometeors, which help to improve the calculation of the densities, size and lifetime of the cloud droplets. While the single moment schemes only predicts the mass for less hydrometeors. Changing the cumulus parameterization schemes and land surface models does not have a large impact on GHI calculations.

Improvements in Sensible Heat-Flux Parametrization in the High-Resolution Regional Model (HRM) Through the Modified Treatment of the Roughness Length for Heat

NASA Astrophysics Data System (ADS)

Anurose, T. J.; Subrahamanyam, D. Bala

2013-06-01

We discuss the impact of the differential treatment of the roughness lengths for momentum and heat (z_{0m} and z_{0h}) in the flux parametrization scheme of the high-resolution regional model (HRM) for a heterogeneous terrain centred around Thiruvananthapuram, India (8.5°N, 76.9°E). The magnitudes of sensible heat flux ( H) obtained from HRM simulations using the original parametrization scheme differed drastically from the concurrent in situ observations. With a view to improving the performance of this parametrization scheme, two distinct modifications are incorporated: (1) In the first method, a constant value of 100 is assigned to the z_{0m}/z_{0h} ratio; (2) and in the second approach, this ratio is treated as a function of time. Both these modifications in the HRM model showed significant improvements in the H simulations for Thiruvananthapuram and its adjoining regions. Results obtained from the present study provide a first-ever comparison of H simulations using the modified parametrization scheme in the HRM model with in situ observations for the Indian coastal region, and suggest a differential treatment of z_{0m} and z_{0h} in the flux parametrization scheme.

A Computational Fluid Dynamic and Heat Transfer Model for Gaseous Core and Gas Cooled Space Power and Propulsion Reactors

NASA Technical Reports Server (NTRS)

Anghaie, S.; Chen, G.

1996-01-01

A computational model based on the axisymmetric, thin-layer Navier-Stokes equations is developed to predict the convective, radiation and conductive heat transfer in high temperature space nuclear reactors. An implicit-explicit, finite volume, MacCormack method in conjunction with the Gauss-Seidel line iteration procedure is utilized to solve the thermal and fluid governing equations. Simulation of coolant and propellant flows in these reactors involves the subsonic and supersonic flows of hydrogen, helium and uranium tetrafluoride under variable boundary conditions. An enthalpy-rebalancing scheme is developed and implemented to enhance and accelerate the rate of convergence when a wall heat flux boundary condition is used. The model also incorporated the Baldwin and Lomax two-layer algebraic turbulence scheme for the calculation of the turbulent kinetic energy and eddy diffusivity of energy. The Rosseland diffusion approximation is used to simulate the radiative energy transfer in the optically thick environment of gas core reactors. The computational model is benchmarked with experimental data on flow separation angle and drag force acting on a suspended sphere in a cylindrical tube. The heat transfer is validated by comparing the computed results with the standard heat transfer correlations predictions. The model is used to simulate flow and heat transfer under a variety of design conditions. The effect of internal heat generation on the heat transfer in the gas core reactors is examined for a variety of power densities, 100 W/cc, 500 W/cc and 1000 W/cc. The maximum temperature, corresponding with the heat generation rates, are 2150 K, 2750 K and 3550 K, respectively. This analysis shows that the maximum temperature is strongly dependent on the value of heat generation rate. It also indicates that a heat generation rate higher than 1000 W/cc is necessary to maintain the gas temperature at about 3500 K, which is typical design temperature required to achieve high efficiency in the gas core reactors. The model is also used to predict the convective and radiation heat fluxes for the gas core reactors. The maximum value of heat flux occurs at the exit of the reactor core. Radiation heat flux increases with higher wall temperature. This behavior is due to the fact that the radiative heat flux is strongly dependent on wall temperature. This study also found that at temperature close to 3500 K the radiative heat flux is comparable with the convective heat flux in a uranium fluoride failed gas core reactor.

A combined approach of self-referencing and Principle Component Thermography for transient, steady, and selective heating scenarios

NASA Astrophysics Data System (ADS)

Omar, M. A.; Parvataneni, R.; Zhou, Y.

2010-09-01

Proposed manuscript describes the implementation of a two step processing procedure, composed of the self-referencing and the Principle Component Thermography (PCT). The combined approach enables the processing of thermograms from transient (flash), steady (halogen) and selective (induction) thermal perturbations. Firstly, the research discusses the three basic processing schemes typically applied for thermography; namely mathematical transformation based processing, curve-fitting processing, and direct contrast based calculations. Proposed algorithm utilizes the self-referencing scheme to create a sub-sequence that contains the maximum contrast information and also compute the anomalies' depth values. While, the Principle Component Thermography operates on the sub-sequence frames by re-arranging its data content (pixel values) spatially and temporally then it highlights the data variance. The PCT is mainly used as a mathematical mean to enhance the defects' contrast thus enabling its shape and size retrieval. The results show that the proposed combined scheme is effective in processing multiple size defects in sandwich steel structure in real-time (<30 Hz) and with full spatial coverage, without the need for a priori defect-free area.

Artificial viscosity in Godunov-type schemes to cure the carbuncle phenomenon

NASA Astrophysics Data System (ADS)

Rodionov, Alexander V.

2017-09-01

This work presents a new approach for curing the carbuncle instability. The idea underlying the approach is to introduce some dissipation in the form of right-hand sides of the Navier-Stokes equations into the basic method of solving Euler equations; in so doing, we replace the molecular viscosity coefficient by the artificial viscosity coefficient and calculate heat conductivity assuming that the Prandtl number is constant. For the artificial viscosity coefficient we have chosen a formula that is consistent with the von Neumann and Richtmyer artificial viscosity, but has its specific features (extension to multidimensional simulations, introduction of a threshold compression intensity that restricts additional dissipation to the shock layer only). The coefficients and the expression for the characteristic mesh size in this formula are chosen from a large number of Quirk-type problem computations. The new cure for the carbuncle flaw has been tested on first-order schemes (Godunov, Roe, HLLC and AUSM+ schemes) as applied to one- and two-dimensional simulations on smooth structured grids. Its efficiency has been demonstrated on several well-known test problems.

Development of a thermal scheme for a cogeneration combined-cycle unit with an SVBR-100 reactor

NASA Astrophysics Data System (ADS)

Kasilov, V. F.; Dudolin, A. A.; Krasheninnikov, S. M.

2017-02-01

At present, the prospects for development of district heating that can increase the effectiveness of nuclear power stations (NPS), cut down their payback period, and improve protection of the environment against harmful emissions are being examined in the nuclear power industry of Russia. It is noted that the efficiency of nuclear cogeneration power stations (NCPS) is drastically affected by the expenses for heat networks and heat losses during transportation of a heat carrier through them, since NPSs are usually located far away from urban area boundaries as required for radiation safety of the population. The prospects for using cogeneration power units with small or medium power reactors at NPSs, including combined-cycle units and their performance indices, are described. The developed thermal scheme of a cogeneration combined-cycle unit (CCU) with an SBVR-100 nuclear reactor (NCCU) is presented. This NCCU should use a GE 6FA gasturbine unit (GTU) and a steam-turbine unit (STU) with a two-stage district heating plant. Saturated steam from the nuclear reactor is superheated in a heat-recovery steam generator (HRSG) to 560-580°C so that a separator-superheater can be excluded from the thermal cycle of the turbine unit. In addition, supplemental fuel firing in HRSG is examined. NCCU effectiveness indices are given as a function of the ambient air temperature. Results of calculations of the thermal cycle performance under condensing operating conditions indicate that the gross electric efficiency η el NCCU gr of = 48% and N el NCCU gr = 345 MW can be achieved. This efficiency is at maximum for NCCU with an SVBR-100 reactor. The conclusion is made that the cost of NCCU installed kW should be estimated, and the issue associated with NCCUs siting with reference to urban area boundaries must be solved.

An Empirical Cumulus Parameterization Scheme for a Global Spectral Model

NASA Technical Reports Server (NTRS)

Rajendran, K.; Krishnamurti, T. N.; Misra, V.; Tao, W.-K.

2004-01-01

Realistic vertical heating and drying profiles in a cumulus scheme is important for obtaining accurate weather forecasts. A new empirical cumulus parameterization scheme based on a procedure to improve the vertical distribution of heating and moistening over the tropics is developed. The empirical cumulus parameterization scheme (ECPS) utilizes profiles of Tropical Rainfall Measuring Mission (TRMM) based heating and moistening derived from the European Centre for Medium- Range Weather Forecasts (ECMWF) analysis. A dimension reduction technique through rotated principal component analysis (RPCA) is performed on the vertical profiles of heating (Q1) and drying (Q2) over the convective regions of the tropics, to obtain the dominant modes of variability. Analysis suggests that most of the variance associated with the observed profiles can be explained by retaining the first three modes. The ECPS then applies a statistical approach in which Q1 and Q2 are expressed as a linear combination of the first three dominant principal components which distinctly explain variance in the troposphere as a function of the prevalent large-scale dynamics. The principal component (PC) score which quantifies the contribution of each PC to the corresponding loading profile is estimated through a multiple screening regression method which yields the PC score as a function of the large-scale variables. The profiles of Q1 and Q2 thus obtained are found to match well with the observed profiles. The impact of the ECPS is investigated in a series of short range (1-3 day) prediction experiments using the Florida State University global spectral model (FSUGSM, T126L14). Comparisons between short range ECPS forecasts and those with the modified Kuo scheme show a very marked improvement in the skill in ECPS forecasts. This improvement in the forecast skill with ECPS emphasizes the importance of incorporating realistic vertical distributions of heating and drying in the model cumulus scheme. This also suggests that in the absence of explicit models for convection, the proposed statistical scheme improves the modeling of the vertical distribution of heating and moistening in areas of deep convection.

Unsteady combustion of solid propellants

NASA Astrophysics Data System (ADS)

Chung, T. J.; Kim, P. K.

The oscillatory motions of all field variables (pressure, temperature, velocity, density, and fuel fractions) in the flame zone of solid propellant rocket motors are calculated using the finite element method. The Arrhenius law with a single step forward chemical reaction is used. Effects of radiative heat transfer, impressed arbitrary acoustic wave incidence, and idealized mean flow velocities are also investigated. Boundary conditions are derived at the solid-gas interfaces and at the flame edges which are implemented via Lagrange multipliers. Perturbation expansions of all governing conservation equations up to and including the second order are carried out so that nonlinear oscillations may be accommodated. All excited frequencies are calculated by means of eigenvalue analyses, and the combustion response functions corresponding to these frequencies are determined. It is shown that the use of isoparametric finite elements, Gaussian quadrature integration, and the Lagrange multiplier boundary matrix scheme offers a convenient approach to two-dimensional calculations.

Increase of efficiency and reliability of liquid fuel combustion in small-sized boilers

NASA Astrophysics Data System (ADS)

Roslyakov, P. V.; Proskurin, Yu V.; Ionkin, I. L.

2017-11-01

One of the ways to increase the efficiency of using fuels is to create highly efficient domestic energy equipment, in particular small-sized hot-water boilers in autonomous heating systems. Increasing the efficiency of the boiler requires a reduction in the temperature of the flue gases leaving, which, in turn, can be achieved by installing additional heating surfaces. The purpose of this work was to determine the principal design solutions and to develop a draft design for a high-efficiency 3-MW hot-water boiler using crude oil as its main fuel. Ensuring a high efficiency of the boiler is realized through the use of an external remote economizer, which makes it possible to reduce the dimensions of the boiler, facilitate the layout of equipment in a limited size block-modular boiler house and virtually eliminate low-temperature corrosion of boiler heat exchange surfaces. In the article the variants of execution of the water boiler and remote economizer are considered and the preliminary design calculations of the remote economizer for various schemes of the boiler layout in the Boiler Designer software package are made. Based on the results of the studies, a scheme was chosen with a three-way boiler and a two-way remote economizer. The design of a three-way fire tube hot water boiler and an external economizer with an internal arrangement of the collectors, providing for its location above the boiler in a block-modular boiler house and providing access for servicing both a remote economizer and a hot water boiler, is proposed. Its mass-dimensional and design parameters are determined. In the software package Boiler Designer thermal, hydraulic and aerodynamic calculations of the developed fire tube boiler have been performed. Optimization of the boiler design was performed, providing the required 94% efficiency value for crude oil combustion. The description of the developed flue and fire-tube hot water boiler and the value of the main design and technical and economic parameters are given.

Energy spectrum and thermal properties of a terahertz quantum-cascade laser based on the resonant-phonon depopulation scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khabibullin, R. A., E-mail: khabibullin@isvch.ru; Shchavruk, N. V.; Klochkov, A. N.

The dependences of the electronic-level positions and transition oscillator strengths on an applied electric field are studied for a terahertz quantum-cascade laser (THz QCL) with the resonant-phonon depopulation scheme, based on a cascade consisting of three quantum wells. The electric-field strengths for two characteristic states of the THz QCL under study are calculated: (i) “parasitic” current flow in the structure when the lasing threshold has not yet been reached; (ii) the lasing threshold is reached. Heat-transfer processes in the THz QCL under study are simulated to determine the optimum supply and cooling conditions. The conditions of thermocompression bonding of themore » laser ridge stripe with an n{sup +}-GaAs conductive substrate based on Au–Au are selected to produce a mechanically stronger contact with a higher thermal conductivity.« less

Hospital financing: calculating inpatient capital costs in Germany with a comparative view on operating costs and the English costing scheme.

PubMed

Vogl, Matthias

2014-04-01

The paper analyzes the German inpatient capital costing scheme by assessing its cost module calculation. The costing scheme represents the first separated national calculation of performance-oriented capital cost lump sums per DRG. The three steps in the costing scheme are reviewed and assessed: (1) accrual of capital costs; (2) cost-center and cost category accounting; (3) data processing for capital cost modules. The assessment of each step is based on its level of transparency and efficiency. A comparative view on operating costing and the English costing scheme is given. Advantages of the scheme are low participation hurdles, low calculation effort for G-DRG calculation participants, highly differentiated cost-center/cost category separation, and advanced patient-based resource allocation. The exclusion of relevant capital costs, nontransparent resource allocation, and unclear capital cost modules, limit the managerial relevance and transparency of the capital costing scheme. The scheme generates the technical premises for a change from dual financing by insurances (operating costs) and state (capital costs) to a single financing source. The new capital costing scheme will intensify the discussion on how to solve the current investment backlog in Germany and can assist regulators in other countries with the introduction of accurate capital costing. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

A study of upwind schemes on the laminar hypersonic heating predictions for the reusable space vehicle

NASA Astrophysics Data System (ADS)

Qu, Feng; Sun, Di; Zuo, Guang

2018-06-01

With the rapid development of the Computational Fluid Dynamics (CFD), Accurate computing hypersonic heating is in a high demand for the design of the new generation reusable space vehicle to conduct deep space exploration. In the past years, most researchers try to solve this problem by concentrating on the choice of the upwind schemes or the definition of the cell Reynolds number. However, the cell Reynolds number dependencies and limiter dependencies of the upwind schemes, which are of great importance to their performances in hypersonic heating computations, are concerned by few people. In this paper, we conduct a systematic study on these properties respectively. Results in our test cases show that SLAU (Simple Low-dissipation AUSM-family) is with a much higher level of accuracy and robustness in hypersonic heating predictions. Also, it performs much better in terms of the limiter dependency and the cell Reynolds number dependency.

Evaluation of the eigenvalue method in the solution of transient heat conduction problems

NASA Astrophysics Data System (ADS)

Landry, D. W.

1985-01-01

The eigenvalue method is evaluated to determine the advantages and disadvantages of the method as compared to fully explicit, fully implicit, and Crank-Nicolson methods. Time comparisons and accuracy comparisons are made in an effort to rank the eigenvalue method in relation to the comparison schemes. The eigenvalue method is used to solve the parabolic heat equation in multidimensions with transient temperatures. Extensions into three dimensions are made to determine the method's feasibility in handling large geometry problems requiring great numbers of internal mesh points. The eigenvalue method proves to be slightly better in accuracy than the comparison routines because of an exact treatment, as opposed to a numerical approximation, of the time derivative in the heat equation. It has the potential of being a very powerful routine in solving long transient type problems. The method is not well suited to finely meshed grid arrays or large regions because of the time and memory requirements necessary for calculating large sets of eigenvalues and eigenvectors.

The lithium vapor box divertor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldston, R. J.; Myers, R.; Schwartz, J.

It has long been recognized that volumetric dissipation of the plasma heat flux from a fusion power system is preferable to its localized impingement on a material surface. Volumetric dissipation mitigates both the anticipated very high heat flux and intense particle-induced damage due to sputtering. Our recent projections to a tokamak demonstration power plant suggest an immense upstream parallel heat flux, of order 20 GW m -2, implying that fully detached operation may be a requirement for the success of fusion power. Building on pioneering work on the use of lithium by Nagayama et al and by Ono et almore » as well as earlier work on the gas box divertor by Watkins and Rebut, we present here a concept for a lithium vapor box divertor, in which lithium vapor extracts momentum and energy from a fusion-power-plant divertor plasma, using fully volumetric processes. Furthermore, at the high powers and pressures that are projected this requires a high density of lithium vapor, which must be isolated from the main plasma in order to avoid lithium build-up on the chamber walls or in the plasma. Isolation is achieved through a powerful multi-box differential pumping scheme available only for condensable vapors. The preliminary box-wise calculations are encouraging, but much more work is required in order to demonstrate the practical viability of this scheme, taking into account at least 2D plasma and vapor flows within and between the vapor boxes and out of the vapor boxes to the main plasma.« less

The lithium vapor box divertor

NASA Astrophysics Data System (ADS)

Goldston, R. J.; Myers, R.; Schwartz, J.

2016-02-01

It has long been recognized that volumetric dissipation of the plasma heat flux from a fusion power system is preferable to its localized impingement on a material surface. Volumetric dissipation mitigates both the anticipated very high heat flux and intense particle-induced damage due to sputtering. Recent projections to a tokamak demonstration power plant suggest an immense upstream parallel heat flux, of order 20 GW m-2, implying that fully detached operation may be a requirement for the success of fusion power. Building on pioneering work on the use of lithium by Nagayama et al and by Ono et al as well as earlier work on the gas box divertor by Watkins and Rebut, we present here a concept for a lithium vapor box divertor, in which lithium vapor extracts momentum and energy from a fusion-power-plant divertor plasma, using fully volumetric processes. At the high powers and pressures that are projected this requires a high density of lithium vapor, which must be isolated from the main plasma in order to avoid lithium build-up on the chamber walls or in the plasma. Isolation is achieved through a powerful multi-box differential pumping scheme available only for condensable vapors. The preliminary box-wise calculations are encouraging, but much more work is required to demonstrate the practical viability of this scheme, taking into account at least 2D plasma and vapor flows within and between the vapor boxes and out of the vapor boxes to the main plasma.

The lithium vapor box divertor

DOE PAGES

Goldston, R. J.; Myers, R.; Schwartz, J.

2016-01-13

It has long been recognized that volumetric dissipation of the plasma heat flux from a fusion power system is preferable to its localized impingement on a material surface. Volumetric dissipation mitigates both the anticipated very high heat flux and intense particle-induced damage due to sputtering. Our recent projections to a tokamak demonstration power plant suggest an immense upstream parallel heat flux, of order 20 GW m -2, implying that fully detached operation may be a requirement for the success of fusion power. Building on pioneering work on the use of lithium by Nagayama et al and by Ono et almore » as well as earlier work on the gas box divertor by Watkins and Rebut, we present here a concept for a lithium vapor box divertor, in which lithium vapor extracts momentum and energy from a fusion-power-plant divertor plasma, using fully volumetric processes. Furthermore, at the high powers and pressures that are projected this requires a high density of lithium vapor, which must be isolated from the main plasma in order to avoid lithium build-up on the chamber walls or in the plasma. Isolation is achieved through a powerful multi-box differential pumping scheme available only for condensable vapors. The preliminary box-wise calculations are encouraging, but much more work is required in order to demonstrate the practical viability of this scheme, taking into account at least 2D plasma and vapor flows within and between the vapor boxes and out of the vapor boxes to the main plasma.« less

Study on the design schemes of the air-conditioning system in a gymnasium

NASA Astrophysics Data System (ADS)

Zhang, Yujin; Wu, Xinwei; Zhang, Jing; Pan, Zhixin

2017-08-01

In view of designing the air conditioning project for a gymnasium successfully, the cooling and heating source schemes are fully studied by analyzing the surrounding environment and energy conditions of the project, as well as the analysis of the initial investment and operating costs, which indicates the air source heat pump air conditioning system is the best choice for the project. The indoor air conditioning schemes are also studied systematically and the optimization of air conditioning schemes is carried out in each area. The principle of operating conditions for the whole year is followed and the quality of indoor air and energy-saving are ensured by the optimized design schemes, which provide references for the air conditioning system design in the same kinds of building.

Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

Boreal Winter MJO Teleconnection in the Community Atmosphere Model Version 5 with the Unified Convection Parameterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoo, Changhyun; Park, Sungsu; Kim, Daehyun

2015-10-01

The Madden-Julian Oscillation (MJO), the dominant mode of tropical intraseasonal variability, influences weather and climate in the extratropics through atmospheric teleconnection. In this study, two simulations using the Community Atmosphere Model version 5 (CAM5) - one with the default shallow and deep convection schemes and the other with the Unified Convection scheme (UNICON) - are employed to examine the impacts of cumulus parameterizations on the simulation of the boreal wintertime MJO teleconnection in the Northern Hemisphere. We demonstrate that the UNICON substantially improves the MJO teleconnection. When the UNICON is employed, the simulated circulation anomalies associated with the MJO bettermore » resemble the observed counterpart, compared to the simulation with the default convection schemes. Quantitatively, the pattern correlation for the 300-hPa geopotential height anomalies between the simulations and observation increases from 0.07 for the default schemes to 0.54 for the UNICON. These circulation anomalies associated with the MJO further help to enhance the surface air temperature and precipitation anomalies over North America, although room for improvement is still evident. Initial value calculations suggest that the realistic MJO teleconnection with the UNICON is not attributed to the changes in the background wind, but primarily to the improved tropical convective heating associated with the MJO.« less

Radiation Heat Transfer Between Diffuse-Gray Surfaces Using Higher Order Finite Elements

NASA Technical Reports Server (NTRS)

Gould, Dana C.

2000-01-01

This paper presents recent work on developing methods for analyzing radiation heat transfer between diffuse-gray surfaces using p-version finite elements. The work was motivated by a thermal analysis of a High Speed Civil Transport (HSCT) wing structure which showed the importance of radiation heat transfer throughout the structure. The analysis also showed that refining the finite element mesh to accurately capture the temperature distribution on the internal structure led to very large meshes with unacceptably long execution times. Traditional methods for calculating surface-to-surface radiation are based on assumptions that are not appropriate for p-version finite elements. Two methods for determining internal radiation heat transfer are developed for one and two-dimensional p-version finite elements. In the first method, higher-order elements are divided into a number of sub-elements. Traditional methods are used to determine radiation heat flux along each sub-element and then mapped back to the parent element. In the second method, the radiation heat transfer equations are numerically integrated over the higher-order element. Comparisons with analytical solutions show that the integration scheme is generally more accurate than the sub-element method. Comparison to results from traditional finite elements shows that significant reduction in the number of elements in the mesh is possible using higher-order (p-version) finite elements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McHugh, P.R.; Ramshaw, J.D.

MAGMA is a FORTRAN computer code designed to viscous flow in in situ vitrification melt pools. It models three-dimensional, incompressible, viscous flow and heat transfer. The momentum equation is coupled to the temperature field through the buoyancy force terms arising from the Boussinesq approximation. All fluid properties, except density, are assumed variable. Density is assumed constant except in the buoyancy force terms in the momentum equation. A simple melting model based on the enthalpy method allows the study of the melt front progression and latent heat effects. An indirect addressing scheme used in the numerical solution of the momentum equationmore » voids unnecessary calculations in cells devoid of liquid. Two-dimensional calculations can be performed using either rectangular or cylindrical coordinates, while three-dimensional calculations use rectangular coordinates. All derivatives are approximated by finite differences. The incompressible Navier-Stokes equations are solved using a new fully implicit iterative technique, while the energy equation is differenced explicitly in time. Spatial derivatives are written in conservative form using a uniform, rectangular, staggered mesh based on the marker and cell placement of variables. Convective terms are differenced using a weighted average of centered and donor cell differencing to ensure numerical stability. Complete descriptions of MAGMA governing equations, numerics, code structure, and code verification are provided. 14 refs.« less

Analytical and numerical treatment of the heat conduction equation obtained via time-fractional distributed-order heat conduction law

NASA Astrophysics Data System (ADS)

Želi, Velibor; Zorica, Dušan

2018-02-01

Generalization of the heat conduction equation is obtained by considering the system of equations consisting of the energy balance equation and fractional-order constitutive heat conduction law, assumed in the form of the distributed-order Cattaneo type. The Cauchy problem for system of energy balance equation and constitutive heat conduction law is treated analytically through Fourier and Laplace integral transform methods, as well as numerically by the method of finite differences through Adams-Bashforth and Grünwald-Letnikov schemes for approximation derivatives in temporal domain and leap frog scheme for spatial derivatives. Numerical examples, showing time evolution of temperature and heat flux spatial profiles, demonstrate applicability and good agreement of both methods in cases of multi-term and power-type distributed-order heat conduction laws.

The optimization on flow scheme of helium liquefier with genetic algorithm

NASA Astrophysics Data System (ADS)

Wang, H. R.; Xiong, L. Y.; Peng, N.; Liu, L. Q.

2017-01-01

There are several ways to organize the flow scheme of the helium liquefiers, such as arranging the expanders in parallel (reverse Brayton stage) or in series (modified Brayton stages). In this paper, the inlet mass flow and temperatures of expanders in Collins cycle are optimized using genetic algorithm (GA). Results show that maximum liquefaction rate can be obtained when the system is working at the optimal parameters. However, the reliability of the system is not well due to high wheel speed of the first turbine. Study shows that the scheme in which expanders are arranged in series with heat exchangers between them has higher operation reliability but lower plant efficiency when working at the same situation. Considering both liquefaction rate and system stability, another flow scheme is put forward hoping to solve the dilemma. The three configurations are compared from different aspects, they are respectively economic cost, heat exchanger size, system reliability and exergy efficiency. In addition, the effect of heat capacity ratio on heat transfer efficiency is discussed. A conclusion of choosing liquefier configuration is given in the end, which is meaningful for the optimal design of helium liquefier.

The effect of metallicity on the atmospheres of exoplanets with fully coupled 3D hydrodynamics, equilibrium chemistry, and radiative transfer

NASA Astrophysics Data System (ADS)

Drummond, B.; Mayne, N. J.; Baraffe, I.; Tremblin, P.; Manners, J.; Amundsen, D. S.; Goyal, J.; Acreman, D.

2018-05-01

In this work, we have performed a series of simulations of the atmosphere of GJ 1214b assuming different metallicities using the Met Office Unified Model (UM). The UM is a general circulation model (GCM) that solves the deep, non-hydrostatic equations of motion and uses a flexible and accurate radiative transfer scheme, based on the two-stream and correlated-k approximations, to calculate the heating rates. In this work we consistently couple a well-tested Gibbs energy minimisation scheme to solve for the chemical equilibrium abundances locally in each grid cell for a general set of elemental abundances, further improving the flexibility and accuracy of the model. As the metallicity of the atmosphere is increased we find significant changes in the dynamical and thermal structure, with subsequent implications for the simulated phase curve. The trends that we find are qualitatively consistent with previous works, though with quantitative differences. We investigate in detail the effect of increasing the metallicity by splitting the mechanism into constituents, involving the mean molecular weight, the heat capacity and the opacities. We find the opacity effect to be the dominant mechanism in altering the circulation and thermal structure. This result highlights the importance of accurately computing the opacities and radiative transfer in 3D GCMs.

A program code generator for multiphysics biological simulation using markup languages.

PubMed

Amano, Akira; Kawabata, Masanari; Yamashita, Yoshiharu; Rusty Punzalan, Florencio; Shimayoshi, Takao; Kuwabara, Hiroaki; Kunieda, Yoshitoshi

2012-01-01

To cope with the complexity of the biological function simulation models, model representation with description language is becoming popular. However, simulation software itself becomes complex in these environment, thus, it is difficult to modify the simulation conditions, target computation resources or calculation methods. In the complex biological function simulation software, there are 1) model equations, 2) boundary conditions and 3) calculation schemes. Use of description model file is useful for first point and partly second point, however, third point is difficult to handle for various calculation schemes which is required for simulation models constructed from two or more elementary models. We introduce a simulation software generation system which use description language based description of coupling calculation scheme together with cell model description file. By using this software, we can easily generate biological simulation code with variety of coupling calculation schemes. To show the efficiency of our system, example of coupling calculation scheme with three elementary models are shown.

Methods for Melting Temperature Calculation

NASA Astrophysics Data System (ADS)

Hong, Qi-Jun

Melting temperature calculation has important applications in the theoretical study of phase diagrams and computational materials screenings. In this thesis, we present two new methods, i.e., the improved Widom's particle insertion method and the small-cell coexistence method, which we developed in order to capture melting temperatures both accurately and quickly. We propose a scheme that drastically improves the efficiency of Widom's particle insertion method by efficiently sampling cavities while calculating the integrals providing the chemical potentials of a physical system. This idea enables us to calculate chemical potentials of liquids directly from first-principles without the help of any reference system, which is necessary in the commonly used thermodynamic integration method. As an example, we apply our scheme, combined with the density functional formalism, to the calculation of the chemical potential of liquid copper. The calculated chemical potential is further used to locate the melting temperature. The calculated results closely agree with experiments. We propose the small-cell coexistence method based on the statistical analysis of small-size coexistence MD simulations. It eliminates the risk of a metastable superheated solid in the fast-heating method, while also significantly reducing the computer cost relative to the traditional large-scale coexistence method. Using empirical potentials, we validate the method and systematically study the finite-size effect on the calculated melting points. The method converges to the exact result in the limit of a large system size. An accuracy within 100 K in melting temperature is usually achieved when the simulation contains more than 100 atoms. DFT examples of Tantalum, high-pressure Sodium, and ionic material NaCl are shown to demonstrate the accuracy and flexibility of the method in its practical applications. The method serves as a promising approach for large-scale automated material screening in which the melting temperature is a design criterion. We present in detail two examples of refractory materials. First, we demonstrate how key material properties that provide guidance in the design of refractory materials can be accurately determined via ab initio thermodynamic calculations in conjunction with experimental techniques based on synchrotron X-ray diffraction and thermal analysis under laser-heated aerodynamic levitation. The properties considered include melting point, heat of fusion, heat capacity, thermal expansion coefficients, thermal stability, and sublattice disordering, as illustrated in a motivating example of lanthanum zirconate (La2Zr2O7). The close agreement with experiment in the known but structurally complex compound La2Zr 2O7 provides good indication that the computation methods described can be used within a computational screening framework to identify novel refractory materials. Second, we report an extensive investigation into the melting temperatures of the Hf-C and Hf-Ta-C systems using ab initio calculations. With melting points above 4000 K, hafnium carbide (HfC) and tantalum carbide (TaC) are among the most refractory binary compounds known to date. Their mixture, with a general formula TaxHf 1-xCy, is known to have a melting point of 4215 K at the composition Ta4HfC 5, which has long been considered as the highest melting temperature for any solid. Very few measurements of melting point in tantalum and hafnium carbides have been documented, because of the obvious experimental difficulties at extreme temperatures. The investigation lets us identify three major chemical factors that contribute to the high melting temperatures. Based on these three factors, we propose and explore a new class of materials, which, according to our ab initio calculations, may possess even higher melting temperatures than Ta-Hf-C. This example also demonstrates the feasibility of materials screening and discovery via ab initio calculations for the optimization of "higher-level" properties whose determination requires extensive sampling of atomic configuration space.

Studies of thermophysical properties of high-energy-density states in matter using intense heavy ion beams at the future FAIR accelerator facilities: The HEDgeHOB collaboration

NASA Astrophysics Data System (ADS)

Tahir, N. A.; Shutov, A.; Lomonosov, I. V.; Gryaznov, V.; Deutsch, C.; Fortov, V. E.; Hoffmann, D. H. H.; Ni, P.; Piriz, A. R.; Udrea, S.; Varentsov, D.; Wouchuk, G.

2006-06-01

Intense beams of energetic heavy ions are believed to be a very efficient and novel tool to create states of High-Energy-Density (HED) in matter. This paper shows with the help of numerical simulations that the heavy ion beams that will be generated at the future Facility for Antiprotons and Ion Research (FAIR)[W.F. Henning, Nucl. Instr. Meth. B 214, 211 (2004)] will allow one to use two different experimental schemes to study HED states in matter. First scheme named HIHEX (Heavy Ion Heating and EXpansion), will generate high-pressure, high-entropy states in matter by volumetric isochoric heating. The heated material will then be allowed to expand isentropically. Using this scheme, it will be possible to study important regions of the phase diagram that are either difficult to access or are even unaccessible using traditional methods of shock compression. The second scheme would allow one to achieve low-entropy compression of a sample material like hydrogen or water to produce conditions that are believed to exist in the interiors of the giant planets. This scheme is named LAPLAS (LAboratory PLAnetary Sciences).

A New Scheme for Considering Soil Water-Heat Transport Coupling Based on Community Land Model: Model Description and Preliminary Validation

NASA Astrophysics Data System (ADS)

Wang, Chenghai; Yang, Kai

2018-04-01

Land surface models (LSMs) have developed significantly over the past few decades, with the result that most LSMs can generally reproduce the characteristics of the land surface. However, LSMs fail to reproduce some details of soil water and heat transport during seasonal transition periods because they neglect the effects of interactions between water movement and heat transfer in the soil. Such effects are critical for a complete understanding of water-heat transport within a soil thermohydraulic regime. In this study, a fully coupled water-heat transport scheme (FCS) is incorporated into the Community Land Model (version 4.5) to replaces its original isothermal scheme, which is more complete in theory. Observational data from five sites are used to validate the performance of the FCS. The simulation results at both single-point and global scale show that the FCS improved the simulation of soil moisture and temperature. FCS better reproduced the characteristics of drier and colder surface layers in arid regions by considering the diffusion of soil water vapor, which is a nonnegligible process in soil, especially for soil surface layers, while its effects in cold regions are generally inverse. It also accounted for the sensible heat fluxes caused by liquid water flow, which can contribute to heat transfer in both surface and deep layers. The FCS affects the estimation of surface sensible heat (SH) and latent heat (LH) and provides the details of soil heat and water transportation, which benefits to understand the inner physical process of soil water-heat migration.

Pseudo-updated constrained solution algorithm for nonlinear heat conduction

NASA Technical Reports Server (NTRS)

Tovichakchaikul, S.; Padovan, J.

1983-01-01

This paper develops efficiency and stability improvements in the incremental successive substitution (ISS) procedure commonly used to generate the solution to nonlinear heat conduction problems. This is achieved by employing the pseudo-update scheme of Broyden, Fletcher, Goldfarb and Shanno in conjunction with the constrained version of the ISS. The resulting algorithm retains the formulational simplicity associated with ISS schemes while incorporating the enhanced convergence properties of slope driven procedures as well as the stability of constrained approaches. To illustrate the enhanced operating characteristics of the new scheme, the results of several benchmark comparisons are presented.

Energy efficiency analysis of reactor for torrefaction of biomass with direct heating

NASA Astrophysics Data System (ADS)

Kuzmina, J. S.; Director, L. B.; Shevchenko, A. L.; Zaichenko, V. M.

2016-11-01

Paper presents energy analysis of reactor for torrefaction with direct heating of granulated biomass by exhaust gases. Various schemes of gas flow through the reactor zones are presented. Performed is a comparative evaluation of the specific energy consumption for the considered schemes. It has been shown that one of the most expensive processes of torrefaction technology is recycling of pyrolysis gases.

Thermodynamic analysis of alternate energy carriers, hydrogen and chemical heat pipes

NASA Technical Reports Server (NTRS)

Cox, K. E.; Carty, R. H.; Conger, W. L.; Soliman, M. A.; Funk, J. E.

1976-01-01

The paper discusses the production concept and efficiency of two new energy transmission and storage media intended to overcome the disadvantages of electricity as an overall energy carrier. These media are hydrogen produced by water-splitting and the chemical heat pipe. Hydrogen can be transported or stored, and burned as energy is needed, forming only water and thus obviating pollution problems. The chemical heat pipe envisions a system in which heat is stored as the heat of reaction in chemical species. The thermodynamic analysis of these two methods is discussed in terms of first-law and second-law efficiency. It is concluded that chemical heat pipes offer large advantages over thermochemical hydrogen generation schemes on a first-law efficiency basis except for the degradation of thermal energy in temperature thus providing a source of low-temperature (800 K) heat for process heat applications. On a second-law efficiency basis, hydrogen schemes are superior in that the amount of available work is greater as compared to chemical heat pipes.

Coupled Heat and Moisture Transport Simulation on the Re-saturation of Engineered Clay Barrier

NASA Astrophysics Data System (ADS)

Huang, W. H.; Chuang, Y. F.

2014-12-01

Engineered clay barrier plays a major role for the isolation of radioactive wastes in a underground repository. This paper investigates the resaturation processes of clay barrier, with emphasis on the coupling effects of heat and moisture during the intrusion of groundwater to the repository. A reference bentonite and a locally available clay were adopted in the laboratory program. Soil suction of clay specimens was measured by psychrometers embedded in clay specimens and by vapor equilibrium technique conducted at varying temperatures so as to determine the soil water characteristic curves of the two clays at different temperatures. And water uptake tests were conducted on clay specimens compacted at various densities to simulate the intrusion of groundwater into the clay barrier. Using the soil water characteristic curve, an integration scheme was introduced to estimate the hydraulic conductivity of unsaturated clay. It was found that soil suction decreases as temperature increases, resulting in a reduction in water retention capability. The finite element method was then employed to carry out the numerical simulation of the saturation process in the near field of a repository. Results of the numerical simulation were validated using the degree of saturation profile obtained from the water uptake tests on the clays. The numerical scheme was then extended to establish a model simulating the resaturation process after the closure of a repository. Finally, the model was then used to evaluate the effect of clay barrier thickness on the time required for groundwater to penetrate the clay barrier and approach saturation. Due to the variation in clay suction and thermal conductivity with temperature of clay barrier material, the calculated temperature field shows a reduction as a result of incorporating the hydro-properties in the calculations.

Modeling and simulation of radiation from hypersonic flows with Monte Carlo methods

NASA Astrophysics Data System (ADS)

Sohn, Ilyoup

During extreme-Mach number reentry into Earth's atmosphere, spacecraft experience hypersonic non-equilibrium flow conditions that dissociate molecules and ionize atoms. Such situations occur behind a shock wave leading to high temperatures, which have an adverse effect on the thermal protection system and radar communications. Since the electronic energy levels of gaseous species are strongly excited for high Mach number conditions, the radiative contribution to the total heat load can be significant. In addition, radiative heat source within the shock layer may affect the internal energy distribution of dissociated and weakly ionized gas species and the number density of ablative species released from the surface of vehicles. Due to the radiation total heat load to the heat shield surface of the vehicle may be altered beyond mission tolerances. Therefore, in the design process of spacecrafts the effect of radiation must be considered and radiation analyses coupled with flow solvers have to be implemented to improve the reliability during the vehicle design stage. To perform the first stage for radiation analyses coupled with gas-dynamics, efficient databasing schemes for emission and absorption coefficients were developed to model radiation from hypersonic, non-equilibrium flows. For bound-bound transitions, spectral information including the line-center wavelength and assembled parameters for efficient calculations of emission and absorption coefficients are stored for typical air plasma species. Since the flow is non-equilibrium, a rate equation approach including both collisional and radiatively induced transitions was used to calculate the electronic state populations, assuming quasi-steady-state (QSS). The Voigt line shape function was assumed for modeling the line broadening effect. The accuracy and efficiency of the databasing scheme was examined by comparing results of the databasing scheme with those of NEQAIR for the Stardust flowfield. An accuracy of approximately 1 % was achieved with an efficiency about three times faster than the NEQAIR code. To perform accurate and efficient analyses of chemically reacting flowfield - radiation interactions, the direct simulation Monte Carlo (DSMC) and the photon Monte Carlo (PMC) radiative transport methods are used to simulate flowfield - radiation coupling from transitional to peak heating freestream conditions. The non-catalytic and fully catalytic surface conditions were modeled and good agreement of the stagnation-point convective heating between DSMC and continuum fluid dynamics (CFD) calculation under the assumption of fully catalytic surface was achieved. Stagnation-point radiative heating, however, was found to be very different. To simulate three-dimensional radiative transport, the finite-volume based PMC (FV-PMC) method was employed. DSMC - FV-PMC simulations with the goal of understanding the effect of radiation on the flow structure for different degrees of hypersonic non-equilibrium are presented. It is found that except for the highest altitudes, the coupling of radiation influences the flowfield, leading to a decrease in both heavy particle translational and internal temperatures and a decrease in the convective heat flux to the vehicle body. The DSMC - FV-PMC coupled simulations are compared with the previous coupled simulations and correlations obtained using continuum flow modeling and one-dimensional radiative transport. The modeling of radiative transport is further complicated by radiative transitions occurring during the excitation process of the same radiating gas species. This interaction affects the distribution of electronic state populations and, in turn, the radiative transport. The radiative transition rate in the excitation/de-excitation processes and the radiative transport equation (RTE) must be coupled simultaneously to account for non-local effects. The QSS model is presented to predict the electronic state populations of radiating gas species taking into account non-local radiation. The definition of the escape factor which is dependent on the incoming radiative intensity from over all directions is presented. The effect of the escape factor on the distribution of electronic state populations of the atomic N and O radiating species is examined in a highly non-equilibrium flow condition using DSMC and PMC methods and the corresponding change of the radiative heat flux due to the non-local radiation is also investigated.

A finite element analysis modeling tool for solid oxide fuel cell development: coupled electrochemistry, thermal and flow analysis in MARC®

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khaleel, Mohammad A.; Lin, Zijing; Singh, Prabhakar

2004-05-03

A 3D simulation tool for modeling solid oxide fuel cells is described. The tool combines the versatility and efficiency of a commercial finite element analysis code, MARC{reg_sign}, with an in-house developed robust and flexible electrochemical (EC) module. Based upon characteristic parameters obtained experimentally and assigned by the user, the EC module calculates the current density distribution, heat generation, and fuel and oxidant species concentration, taking the temperature profile provided by MARC{reg_sign} and operating conditions such as the fuel and oxidant flow rate and the total stack output voltage or current as the input. MARC{reg_sign} performs flow and thermal analyses basedmore » on the initial and boundary thermal and flow conditions and the heat generation calculated by the EC module. The main coupling between MARC{reg_sign} and EC is for MARC{reg_sign} to supply the temperature field to EC and for EC to give the heat generation profile to MARC{reg_sign}. The loosely coupled, iterative scheme is advantageous in terms of memory requirement, numerical stability and computational efficiency. The coupling is iterated to self-consistency for a steady-state solution. Sample results for steady states as well as the startup process for stacks with different flow designs are presented to illustrate the modeling capability and numerical performance characteristic of the simulation tool.« less

Rotating flow of Ag-CuO/H2O hybrid nanofluid with radiation and partial slip boundary effects.

PubMed

Hayat, Tanzila; Nadeem, S; Khan, A U

2018-06-14

The main object of the present paper is to examine and compare the improvement of flow and heat transfer characteristics between a rotating nanofluid and a newly discovered hybrid nanofluid in the presence of velocity slip and thermal slip. The influence of thermal radiation is also included in the present study. The system after applying the similarity transformations is solved numerically by using the bvp-4c scheme. Additionally, numerical calculations for the coefficient of skin friction and local Nusselt number are introduced and perused for germane parameters. The comparison between water, nanofluid and hybrid nanofluid on velocity and temperature is also visualized. It is observed that the velocity and temperature distributions are decreasing functions of the slip parameter. Temperature is boosted by thermal radiation and rotation. It is found that the heat transfer rate of the hybrid nanofluid is higher as compared to the traditional nanofluid.

Quench of non-Markovian coherence in the deep sub-Ohmic spin–boson model: A unitary equilibration scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, Yao, E-mail: yaoyao@fudan.edu.cn

The deep sub-Ohmic spin–boson model shows a longstanding non-Markovian coherence at low temperature. Motivating to quench this robust coherence, the thermal effect is unitarily incorporated into the time evolution of the model, which is calculated by the adaptive time-dependent density matrix renormalization group algorithm combined with the orthogonal polynomials theory. Via introducing a unitary heating operator to the bosonic bath, the bath is heated up so that a majority portion of the bosonic excited states is occupied. It is found in this situation the coherence of the spin is quickly quenched even in the coherent regime, in which the non-Markovianmore » feature dominates. With this finding we come up with a novel way to implement the unitary equilibration, the essential term of the eigenstate-thermalization hypothesis, through a short-time evolution of the model.« less

Effects of variable electrical conductivity and thermal conductivity on unsteady MHD free convection flow past an exponential accelerated inclined plate

NASA Astrophysics Data System (ADS)

Rana, B. M. Jewel; Ahmed, Rubel; Ahmmed, S. F.

2017-06-01

An analysis is carried out to investigate the effects of variable viscosity, thermal radiation, absorption of radiation and cross diffusion past an inclined exponential accelerated plate under the influence of variable heat and mass transfer. A set of suitable transformations has been used to obtain the non-dimensional coupled governing equations. Explicit finite difference technique has been used to solve the obtained numerical solutions of the present problem. Stability and convergence of the finite difference scheme have been carried out for this problem. Compaq Visual Fortran 6.6a has been used to calculate the numerical results. The effects of various physical parameters on the fluid velocity, temperature, concentration, coefficient of skin friction, rate of heat transfer, rate of mass transfer, streamlines and isotherms on the flow field have been presented graphically and discussed in details.

Acousto-thermometric recovery of the deep temperature profile using heat conduction equations

NASA Astrophysics Data System (ADS)

Anosov, A. A.; Belyaev, R. V.; Vilkov, V. A.; Dvornikova, M. V.; Dvornikova, V. V.; Kazanskii, A. S.; Kuryatnikova, N. A.; Mansfel'd, A. D.

2012-09-01

In a model experiment using the acousto-thermographic method, deep temperature profiles varying in time are recovered. In the recovery algorithm, we used a priori information in the form of a requirement that the calculated temperature must satisfy the heat conduction equation. The problem is reduced to determining two parameters: the initial temperature and the temperature conductivity coefficient of the object under consideration (the plasticine band). During the experiment, there was independent inspection using electronic thermometers mounted inside the plasticine. The error in the temperature conductivity coefficient was about 17% and the error in initial temperature determination was less than one degree. Such recovery results allow application of this approach to solving a number of medical problems. It is experimentally proved that acoustic irregularities influence the acousto-thermometric results as well. It is shown that in the chosen scheme of experiment (which corresponds to measurements of human muscle tissue), this influence can be neglected.

Modeling the heating and melting of sea ice through light absorption by microalgae

NASA Astrophysics Data System (ADS)

Zeebe, Richard E.; Eicken, Hajo; Robinson, Dale H.; Wolf-Gladrow, Dieter; Dieckmann, Gerhard S.

1996-01-01

In sea ice of polar regions, high concentrations of microalgae are observed during the spring. Algal standing stocks may attain peak values of over 300 mg chl a m-2 in the congelation ice habitat. As of yet, the effect of additional heating of sea ice through conversion of solar radiation into heat by algae has not been investigated in detail. Local effects, such as a decrease in albedo, increasing melt rates, and a decrease of the physical strength of ice sheets may occur. To investigate the effects of microalgae on the thermal regime of sea ice, a time-dependent, one-dimensional thermodynamic model of sea ice was coupled to a bio-optical model. A spectral one-stream model was employed to determine spectral attenuation by snow, sea ice, and microalgae. Beer's law was assumed to hold for every wavelength. Energy absorption was obtained by calculating the divergence of irradiance in every layer of the model (Δz = 1 cm). Changes in sea ice temperature profiles were calculated by solving the heat conduction equation with a finite difference scheme. Model results indicate that when algal biomass is concentrated at the bottom of congelation ice, melting of ice resulting from the additional conversion of solar radiation into heat may effectively destroy the algal habitat, thereby releasing algal biomass into the water column. An algal layer located in the top of the ice sheet induced a significant increase in sea ice temperature (ΔT > 0.3 K) for snow depths less than 5 cm and algal standing stocks higher than 150 mg chl a m-2. Furthermore, under these conditions, brine volume increased by 21% from 181 to 219 parts per thousand, which decreased the physical strength of the ice.

A new approach to the convective parameterization of the regional atmospheric model BRAMS

NASA Astrophysics Data System (ADS)

Dos Santos, A. F.; Freitas, S. R.; de Campos Velho, H. F.; Luz, E. F.; Gan, M. A.; de Mattos, J. Z.; Grell, G. A.

2013-05-01

The summer characteristics of January 2010 was performed using the atmospheric model Brazilian developments on the Regional Atmospheric Modeling System (BRAMS). The convective parameterization scheme of Grell and Dévényi was used to represent clouds and their interaction with the large scale environment. As a result, the precipitation forecasts can be combined in several ways, generating a numerical representation of precipitation and atmospheric heating and moistening rates. The purpose of this study was to generate a set of weights to compute a best combination of the hypothesis of the convective scheme. It is an inverse problem of parameter estimation and the problem is solved as an optimization problem. To minimize the difference between observed data and forecasted precipitation, the objective function was computed with the quadratic difference between five simulated precipitation fields and observation. The precipitation field estimated by the Tropical Rainfall Measuring Mission satellite was used as observed data. Weights were obtained using the firefly algorithm and the mass fluxes of each closure of the convective scheme were weighted generating a new set of mass fluxes. The results indicated the better skill of the model with the new methodology compared with the old ensemble mean calculation.

Calculation of Derivative Thermodynamic Hydration and Aqueous Partial Molar Properties of Ions Based on Atomistic Simulations.

PubMed

Dahlgren, Björn; Reif, Maria M; Hünenberger, Philippe H; Hansen, Niels

2012-10-09

The raw ionic solvation free energies calculated on the basis of atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [Kastenholz, M. A.; Hünenberger, P. H. J. Chem. Phys.2006, 124, 224501 and Reif, M. M.; Hünenberger, P. H. J. Chem. Phys.2011, 134, 144104], the application of an appropriate correction scheme allows for a conversion of the methodology-dependent raw data into methodology-independent results. In this work, methodology-independent derivative thermodynamic hydration and aqueous partial molar properties are calculated for the Na(+) and Cl(-) ions at P° = 1 bar and T(-) = 298.15 K, based on the SPC water model and on ion-solvent Lennard-Jones interaction coefficients previously reoptimized against experimental hydration free energies. The hydration parameters considered are the hydration free energy and enthalpy. The aqueous partial molar parameters considered are the partial molar entropy, volume, heat capacity, volume-compressibility, and volume-expansivity. Two alternative calculation methods are employed to access these properties. Method I relies on the difference in average volume and energy between two aqueous systems involving the same number of water molecules, either in the absence or in the presence of the ion, along with variations of these differences corresponding to finite pressure or/and temperature changes. Method II relies on the calculation of the hydration free energy of the ion, along with variations of this free energy corresponding to finite pressure or/and temperature changes. Both methods are used considering two distinct variants in the application of the correction scheme. In variant A, the raw values from the simulations are corrected after the application of finite difference in pressure or/and temperature, based on correction terms specifically designed for derivative parameters at P° and T(-). In variant B, these raw values are corrected prior to differentiation, based on corresponding correction terms appropriate for the different simulation pressures P and temperatures T. The results corresponding to the different calculation schemes show that, except for the hydration free energy itself, accurate methodological independence and quantitative agreement with even the most reliable experimental parameters (ion-pair properties) are not yet reached. Nevertheless, approximate internal consistency and qualitative agreement with experimental results can be achieved, but only when an appropriate correction scheme is applied, along with a careful consideration of standard-state issues. In this sense, the main merit of the present study is to set a clear framework for these types of calculations and to point toward directions for future improvements, with the ultimate goal of reaching a consistent and quantitative description of single-ion hydration thermodynamics in molecular dynamics simulations.

Investigation of the structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3

NASA Astrophysics Data System (ADS)

Salmankurt, Bahadır; Duman, Sıtkı

2016-04-01

The structural, mechanical, dynamical and thermal properties of CsCaF3 and CsCdF3 are presented by using an ab initio pseudopotential method and a linear response scheme, within the generalized gradient approximation. The obtained structural and mechanical properties are in good agreement with other available theoretical and experimental studies. The calculated elastic constants of these materials obey the cubic stability conditions. It has been found that CsCaF3 is brittle whereas CsCdF3 has ductile manner. The full phonon dispersion curves of these materials are reported for the first time in the literature. We have found that calculated phonon modes are positive along the all symmetry directions, indicating that these materials are dynamically stable at the cubic structure. The obtained zone-center phonon modes for CsCaF3 (IR data) are found to be 83 (98) cm-1, 104 (115) cm-1, 120 cm-1, 180 (192) cm-1, 231 (250.5) cm-1, 361 (374) cm-1, 446 (449) cm-1. Also, we have calculated internal energy, Helmholtz free energy, constant-volume specific heat, entropy and Debye temperature as function of temperature. At the 300 K, specific heats are calculated to be 113.36 J mol-1 K-1 and 115.58 J mol-1 K-1 for CsCaF3 and CsCdF3 ,respectively, which are lower than Doulong-Petit limit (12 472 J mol-1 K-1).

Finite Volume Element (FVE) discretization and multilevel solution of the axisymmetric heat equation

NASA Astrophysics Data System (ADS)

Litaker, Eric T.

1994-12-01

The axisymmetric heat equation, resulting from a point-source of heat applied to a metal block, is solved numerically; both iterative and multilevel solutions are computed in order to compare the two processes. The continuum problem is discretized in two stages: finite differences are used to discretize the time derivatives, resulting is a fully implicit backward time-stepping scheme, and the Finite Volume Element (FVE) method is used to discretize the spatial derivatives. The application of the FVE method to a problem in cylindrical coordinates is new, and results in stencils which are analyzed extensively. Several iteration schemes are considered, including both Jacobi and Gauss-Seidel; a thorough analysis of these schemes is done, using both the spectral radii of the iteration matrices and local mode analysis. Using this discretization, a Gauss-Seidel relaxation scheme is used to solve the heat equation iteratively. A multilevel solution process is then constructed, including the development of intergrid transfer and coarse grid operators. Local mode analysis is performed on the components of the amplification matrix, resulting in the two-level convergence factors for various combinations of the operators. A multilevel solution process is implemented by using multigrid V-cycles; the iterative and multilevel results are compared and discussed in detail. The computational savings resulting from the multilevel process are then discussed.

Estimation of Turbulent Heat Fluxes by Assimilation of Land Surface Temperature Observations From GOES Satellites Into an Ensemble Kalman Smoother Framework

NASA Astrophysics Data System (ADS)

Xu, Tongren; Bateni, S. M.; Neale, C. M. U.; Auligne, T.; Liu, Shaomin

2018-03-01

In different studies, land surface temperature (LST) observations have been assimilated into the variational data assimilation (VDA) approaches to estimate turbulent heat fluxes. The VDA methods yield accurate turbulent heat fluxes, but they need an adjoint model, which is difficult to derive and code. They also cannot directly calculate the uncertainty of their estimates. To overcome the abovementioned drawbacks, this study assimilates LST data from Geostationary Operational Environmental Satellite into the ensemble Kalman smoother (EnKS) data assimilation system to estimate turbulent heat fluxes. EnKS does not need to derive the adjoint term and directly generates statistical information on the accuracy of its predictions. It uses the heat diffusion equation to simulate LST. EnKS with the state augmentation approach finds the optimal values for the unknown parameters (i.e., evaporative fraction and neutral bulk heat transfer coefficient, CHN) by minimizing the misfit between LST observations from Geostationary Operational Environmental Satellite and LST estimations from the heat diffusion equation. The augmented EnKS scheme is tested over six Ameriflux sites with a wide range of hydrological and vegetative conditions. The results show that EnKS can predict not only the model parameters and turbulent heat fluxes but also their uncertainties over a variety of land surface conditions. Compared to the variational method, EnKS yields suboptimal turbulent heat fluxes. However, suboptimality of EnKS is small, and its results are comparable to those of the VDA method. Overall, EnKS is a feasible and reliable method for estimation of turbulent heat fluxes.

Heat transfer through the flat surface of Rutherford superconducting cable samples with novel pattern of electrical insulation immersed in He II

NASA Astrophysics Data System (ADS)

Strychalski, M.; Chorowski, M.; Polinski, J.

2014-05-01

Future accelerator magnets will be exposed to heat loads that exceed even by an order of magnitude presently observed heat fluxes transferred to superconducting magnet coils. To avoid the resistive transition of the superconducting cables, the efficiency of heat transfer between the magnet structure and the helium must be significantly increased. This can be achieved through the use of novel concepts of the cable’s electrical insulation wrapping, characterized by an enhanced permeability to helium while retaining sufficient electrical resistivity. This paper presents measurement results of the heat transfer through Rutherford NbTi cable samples immersed in a He II bath and subjected to the pressure loads simulating the counteracting of the Lorentz forces observed in powered magnets. The Rutherford cable samples that were tested used different electrical insulation wrapping schemes, including the scheme that is presently used and the proposed scheme for future LHC magnets. A new porous polyimide cable insulation with enhanced helium permeability was proposed in order to improve the evacuation of heat form the NbTi coil to He II bath. These tests were performed in a dedicated Claudet-type cryostat in pressurized He II at 1.9 K and 1 bar.

Long-duration heat load measurement approach by novel apparatus design and highly efficient algorithm

NASA Astrophysics Data System (ADS)

Zhu, Yanwei; Yi, Fajun; Meng, Songhe; Zhuo, Lijun; Pan, Weizhen

2017-11-01

Improving the surface heat load measurement technique for vehicles in aerodynamic heating environments is imperative, regarding aspects of both the apparatus design and identification efficiency. A simple novel apparatus is designed for heat load identification, taking into account the lessons learned from several aerodynamic heating measurement devices. An inverse finite difference scheme (invFDM) for the apparatus is studied to identify its surface heat flux from the interior temperature measurements with high efficiency. A weighted piecewise regression filter is also proposed for temperature measurement prefiltering. Preliminary verification of the invFDM scheme and the filter is accomplished via numerical simulation experiments. Three specific pieces of apparatus have been concretely designed and fabricated using different sensing materials. The aerodynamic heating process is simulated by an inductively coupled plasma wind tunnel facility. The identification of surface temperature and heat flux from the temperature measurements is performed by invFDM. The results validate the high efficiency, reliability and feasibility of heat load measurements with different heat flux levels utilizing the designed apparatus and proposed method.

Assessing and Upgrading Ocean Mixing for the Study of Climate Change

NASA Astrophysics Data System (ADS)

Howard, A. M.; Fells, J.; Lindo, F.; Tulsee, V.; Canuto, V.; Cheng, Y.; Dubovikov, M. S.; Leboissetier, A.

2016-12-01

Climate is critical. Climate variability affects us all; Climate Change is a burning issue. Droughts, floods, other extreme events, and Global Warming's effects on these and problems such as sea-level rise and ecosystem disruption threaten lives. Citizens must be informed to make decisions concerning climate such as "business as usual" vs. mitigating emissions to keep warming within bounds. Medgar Evers undergraduates aid NASA research while learning climate science and developing computer&math skills. To make useful predictions we must realistically model each component of the climate system, including the ocean, whose critical role includes transporting&storing heat and dissolved CO2. We need physically based parameterizations of key ocean processes that can't be put explicitly in a global climate model, e.g. vertical&lateral mixing. The NASA-GISS turbulence group uses theory to model mixing including: 1) a comprehensive scheme for small scale vertical mixing, including convection&shear, internal waves & double-diffusion, and bottom tides 2) a new parameterization for the lateral&vertical mixing by mesoscale eddies. For better understanding we write our own programs. To assess the modelling MATLAB programs visualize and calculate statistics, including means, standard deviations and correlations, on NASA-GISS OGCM output with different mixing schemes and help us study drift from observations. We also try to upgrade the schemes, e.g. the bottom tidal mixing parameterizations' roughness, calculated from high resolution topographic data using Gaussian weighting functions with cut-offs. We study the effects of their parameters to improve them. A FORTRAN program extracts topography data subsets of manageable size for a MATLAB program, tested on idealized cases, to visualize&calculate roughness on. Students are introduced to modeling a complex system, gain a deeper appreciation of climate science, programming skills and familiarity with MATLAB, while furthering climate science by improving our mixing schemes. We are incorporating climate research into our college curriculum. The PI is both a member of the turbulence group at NASA-GISS and an associate professor at Medgar Evers College of CUNY, an urban minority serving institution in central Brooklyn. Supported by NSF Award AGS-1359293.

Droplet Evaporator For High-Capacity Heat Transfer

NASA Technical Reports Server (NTRS)

Valenzuela, Javier A.

1993-01-01

Proposed heat-exchange scheme boosts heat transfer per unit area. Key component is generator that fires uniform size droplets of subcooled liquid at hot plate. On impact, droplets spread out and evaporate almost instantly, removing heat from plate. In practice, many generator nozzles arrayed over evaporator plate.

Crystallization of carbonate hydroxyapatite in the presence of strontium ranelate

NASA Astrophysics Data System (ADS)

Izmailov, R. R.; Golovanova, O. A.

2015-11-01

The influence of strontium ranelate on the crystallization of carbonate hydroxyapatite from a prototype of synovial fluid of humans has been investigated. The synthesis products are studied by IR Fourier spectroscopy, X-ray diffraction, and differential thermal analysis. The amount of strontium in the samples is determined by atomic emission analysis. The sizes of crystallites in the synthesized phases are calculated from the Selyakov-Scherrer formula; the lattice parameters are also determined. The phases obtained are found to be species of calcium-deficient strontium-containing carbonate hydroxyapatite of mixed A and B types. Schemes of chemical reactions occurring during heat treatment are proposed.

Nuclear light bulb

NASA Technical Reports Server (NTRS)

Latham, Tom

1991-01-01

The nuclear light bulb engine is a closed cycle concept. The nuclear light bulb concept provides containment by keeping the nuclear fuel fluid mechanically suspended in a cylindrical geometry. Thermal heat passes through an internally cooled, fused-silica, transparent wall and heats hydrogen propellant. The seeded hydrogen propellant absorbs radiant energy and is expanded through a nozzle. Internal moderation was used in the configuration which resulted in a reduced critical density requirement. This result was supported by criticality experiments. A reference engine was designed that had seven cells and was sized to fit in what was then predicted to be the shuttle bay mass and volume limitations. There were studies done of nozzle throat cooling schemes to remove the radiant heat. Elements of the nuclear light bulb program included closed loop critical assembly tests done at Los Alamos with UF6 confined by argon buffer gas. It was shown that the fuel region could be seeded with constituents that would block UV radiation from the uranium plasma. A combination of calculations and experiments showed that internal moderation produced a critical mass reduction. Other aspects of the research are presented.

A study of performance parameters on drag and heat flux reduction efficiency of combinational novel cavity and opposing jet concept in hypersonic flows

NASA Astrophysics Data System (ADS)

Sun, Xi-wan; Guo, Zhen-yun; Huang, Wei; Li, Shi-bin; Yan, Li

2017-02-01

The drag reduction and thermal protection system applied to hypersonic re-entry vehicles have attracted an increasing attention, and several novel concepts have been proposed by researchers. In the current study, the influences of performance parameters on drag and heat reduction efficiency of combinational novel cavity and opposing jet concept has been investigated numerically. The Reynolds-average Navier-Stokes (RANS) equations coupled with the SST k-ω turbulence model have been employed to calculate its surrounding flowfields, and the first-order spatially accurate upwind scheme appears to be more suitable for three-dimensional flowfields after grid independent analysis. Different cases of performance parameters, namely jet operating conditions, freestream angle of attack and physical dimensions, are simulated based on the verification of numerical method, and the effects on shock stand-off distance, drag force coefficient, surface pressure and heat flux distributions have been analyzed. This is the basic study for drag reduction and thermal protection by multi-objective optimization of the combinational novel cavity and opposing jet concept in hypersonic flows in the future.

Sensitivity of boundary layer variables to PBL schemes over the central Tibetan Plateau

NASA Astrophysics Data System (ADS)

Xu, L.; Liu, H.; Wang, L.; Du, Q.; Liu, Y.

2017-12-01

Planetary Boundary Layer (PBL) parameterization schemes play critical role in numerical weather prediction and research. They describe physical processes associated with the momentum, heat and humidity exchange between land surface and atmosphere. In this study, two non-local (YSU and ACM2) and two local (MYJ and BouLac) planetary boundary layer parameterization schemes in the Weather Research and Forecasting (WRF) model have been tested over the central Tibetan Plateau regarding of their capability to model boundary layer parameters relevant for surface energy exchange. The model performance has been evaluated against measurements from the Third Tibetan Plateau atmospheric scientific experiment (TIPEX-III). Simulated meteorological parameters and turbulence fluxes have been compared with observations through standard statistical measures. Model results show acceptable behavior, but no particular scheme produces best performance for all locations and parameters. All PBL schemes underestimate near surface air temperatures over the Tibetan Plateau. By investigating the surface energy budget components, the results suggest that downward longwave radiation and sensible heat flux are the main factors causing the lower near surface temperature. Because the downward longwave radiation and sensible heat flux are respectively affected by atmosphere moisture and land-atmosphere coupling, improvements in water vapor distribution and land-atmosphere energy exchange is meaningful for better presentation of PBL physical processes over the central Tibetan Plateau.

Calculations of 3D compressible flows using an efficient low diffusion upwind scheme

NASA Astrophysics Data System (ADS)

Hu, Zongjun; Zha, Gecheng

2005-01-01

A newly suggested E-CUSP upwind scheme is employed for the first time to calculate 3D flows of propulsion systems. The E-CUSP scheme contains the total energy in the convective vector and is fully consistent with the characteristic directions. The scheme is proved to have low diffusion and high CPU efficiency. The computed cases in this paper include a transonic nozzle with circular-to-rectangular cross-section, a transonic duct with shock wave/turbulent boundary layer interaction, and a subsonic 3D compressor cascade. The computed results agree well with the experiments. The new scheme is proved to be accurate, efficient and robust for the 3D calculations of the flows in this paper.

Positional glow curve simulation for thermoluminescent detector (TLD) system design

NASA Astrophysics Data System (ADS)

Branch, C. J.; Kearfott, K. J.

1999-02-01

Multi- and thin element dosimeters, variable heating rate schemes, and glow-curve analysis have been employed to improve environmental and personnel dosimetry using thermoluminescent detectors (TLDs). Detailed analysis of the effects of errors and optimization of techniques would be highly desirable. However, an understanding of the relationship between TL light production, light attenuation, and precise heating schemes is made difficult because of experimental challenges involved in measuring positional TL light production and temperature variations as a function of time. This work reports the development of a general-purpose computer code, thermoluminescent detector simulator, TLD-SIM, to simulate the heating of any TLD type using a variety of conventional and experimental heating methods including pulsed focused or unfocused lasers with Gaussian or uniform cross sections, planchet, hot gas, hot finger, optical, infrared, or electrical heating. TLD-SIM has been used to study the impact on the TL light production of varying the input parameters which include: detector composition, heat capacity, heat conductivity, physical size, and density; trapped electron density, the frequency factor of oscillation of electrons in the traps, and trap-conduction band potential energy difference; heating scheme source terms and heat transfer boundary conditions; and TL light scatter and attenuation coefficients. Temperature profiles and glow curves as a function of position time, as well as the corresponding temporally and/or spatially integrated glow values, may be plotted while varying any of the input parameters. Examples illustrating TLD system functions, including glow curve variability, will be presented. The flexible capabilities of TLD-SIM promises to enable improved TLD system design.

A k-Omega Turbulence Model for Quasi-Three-Dimensional Turbomachinery Flows

NASA Technical Reports Server (NTRS)

Chima, Rodrick V.

1995-01-01

A two-equation k-omega turbulence model has been developed and applied to a quasi-three-dimensional viscous analysis code for blade-to-blade flows in turbomachinery. the code includes the effects of rotation, radius change, and variable stream sheet thickness. The flow equations are given and the explicit runge-Kutta solution scheme is described. the k-omega model equations are also given and the upwind implicit approximate-factorization solution scheme is described. Three cases were calculated: transitional flow over a flat plate, a transonic compressor rotor, and transonic turbine vane with heat transfer. Results were compared to theory, experimental data, and to results using the Baldwin-Lomax turbulence model. The two models compared reasonably well with the data and surprisingly well with each other. Although the k-omega model behaves well numerically and simulates effects of transition, freestream turbulence, and wall roughness, it was not decisively better than the Baldwin-Lomax model for the cases considered here.

Heat Pipe Vapor Dynamics. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Issacci, Farrokh

1990-01-01

The dynamic behavior of the vapor flow in heat pipes is investigated at startup and during operational transients. The vapor is modeled as two-dimensional, compressible viscous flow in an enclosure with inflow and outflow boundary conditions. For steady-state and operating transients, the SIMPLER method is used. In this method a control volume approach is employed on a staggered grid which makes the scheme very stable. It is shown that for relatively low input heat fluxes the compressibility of the vapor flow is low and the SIMPLER scheme is suitable for the study of transient vapor dynamics. When the input heat flux is high or the process under a startup operation starts at very low pressures and temperatures, the vapor is highly compressible and a shock wave is created in the evaporator. It is shown that for a wide range of input heat fluxes, the standard methods, including the SIMPLER scheme, are not suitable. A nonlinear filtering technique, along with the centered difference scheme, are then used for shock capturing as well as for the solution of the cell Reynolds-number problem. For high heat flux, the startup transient phase involves multiple shock reflections in the evaporator region. Each shock reflection causes a significant increase in the local pressure and a large pressure drop along the heat pipe. Furthermore, shock reflections cause flow reversal in the evaporation region and flow circulations in the adiabatic region. The maximum and maximum-averaged pressure drops in different sections of the heat pipe oscillate periodically with time because of multiple shock reflections. The pressure drop converges to a constant value at steady state. However, it is significantly higher than its steady-state value at the initiation of the startup transient. The time for the vapor core to reach steady-state condition depends on the input heat flux, the heat pipe geometry, the working fluid, and the condenser conditions. However, the vapor transient time, for an Na-filled heat pipe is on the order of seconds. Depending on the time constant for the overall system, the vapor transient time may be very short. Therefore, the vapor core may be assumed to be quasi-steady in the transient analysis of a heat pipe operation.

Optimised Iteration in Coupled Monte Carlo - Thermal-Hydraulics Calculations

NASA Astrophysics Data System (ADS)

Hoogenboom, J. Eduard; Dufek, Jan

2014-06-01

This paper describes an optimised iteration scheme for the number of neutron histories and the relaxation factor in successive iterations of coupled Monte Carlo and thermal-hydraulic reactor calculations based on the stochastic iteration method. The scheme results in an increasing number of neutron histories for the Monte Carlo calculation in successive iteration steps and a decreasing relaxation factor for the spatial power distribution to be used as input to the thermal-hydraulics calculation. The theoretical basis is discussed in detail and practical consequences of the scheme are shown, among which a nearly linear increase per iteration of the number of cycles in the Monte Carlo calculation. The scheme is demonstrated for a full PWR type fuel assembly. Results are shown for the axial power distribution during several iteration steps. A few alternative iteration method are also tested and it is concluded that the presented iteration method is near optimal.

Rigorous-two-Steps scheme of TRIPOLI-4® Monte Carlo code validation for shutdown dose rate calculation

NASA Astrophysics Data System (ADS)

Jaboulay, Jean-Charles; Brun, Emeric; Hugot, François-Xavier; Huynh, Tan-Dat; Malouch, Fadhel; Mancusi, Davide; Tsilanizara, Aime

2017-09-01

After fission or fusion reactor shutdown the activated structure emits decay photons. For maintenance operations the radiation dose map must be established in the reactor building. Several calculation schemes have been developed to calculate the shutdown dose rate. These schemes are widely developed in fusion application and more precisely for the ITER tokamak. This paper presents the rigorous-two-steps scheme implemented at CEA. It is based on the TRIPOLI-4® Monte Carlo code and the inventory code MENDEL. The ITER shutdown dose rate benchmark has been carried out, results are in a good agreement with the other participant.

Distinctive features of high-ash bituminuos coals combution with low milling fineness in furnace chambers with bottom blowing

NASA Astrophysics Data System (ADS)

Zroychikov, N. A.; Kaverin, A. A.; Biryukov, Ya A.

2017-11-01

Nowadays the problem of improvement of pulverized coal combustion schemes is an actual one for national power engineering, especially for combustion of coals with low milling fineness with significant portion of moisture or mineral impurities. In this case a big portion of inert material in the fuel may cause impairment of its ignition and combustion. In addition there are a lot of boiler installations on which nitrogen oxides emission exceeds standard values significantly. Decreasing of milling fineness is not without interest as a way of lowering an electric energy consumption for pulverization, which can reach 30% of power plant’s auxiliary consumption of electricity. Development of a combustion scheme meeting the requirements both for effective coal burning and environmental measures (related to NOx emission) is a complex task and demands compromising between these two factors, because implementation of NOx control by combustion very often leads to rising of carbon-in-ash loss. However widespread occurrence of such modern research technique as computer modeling allows to conduct big amount of variants calculations of combustion schemes with low cost and find an optimum. This paper presents results of numerical research of combined schemes of coal combustion with high portion of inert material based on straight-flow burners and nozzles. Several distinctive features of furnace aerodynamics, heat transfer and combustion has been found. The combined scheme of high-ash bituminouos coals combustion with low milling fineness, which allows effective combustion of pointed type of fuels with nitrogen oxides emission reduction has been proposed.

Multiscale solutions of radiative heat transfer by the discrete unified gas kinetic scheme

NASA Astrophysics Data System (ADS)

Luo, Xiao-Ping; Wang, Cun-Hai; Zhang, Yong; Yi, Hong-Liang; Tan, He-Ping

2018-06-01

The radiative transfer equation (RTE) has two asymptotic regimes characterized by the optical thickness, namely, optically thin and optically thick regimes. In the optically thin regime, a ballistic or kinetic transport is dominant. In the optically thick regime, energy transport is totally dominated by multiple collisions between photons; that is, the photons propagate by means of diffusion. To obtain convergent solutions to the RTE, conventional numerical schemes have a strong dependence on the number of spatial grids, which leads to a serious computational inefficiency in the regime where the diffusion is predominant. In this work, a discrete unified gas kinetic scheme (DUGKS) is developed to predict radiative heat transfer in participating media. Numerical performances of the DUGKS are compared in detail with conventional methods through three cases including one-dimensional transient radiative heat transfer, two-dimensional steady radiative heat transfer, and three-dimensional multiscale radiative heat transfer. Due to the asymptotic preserving property, the present method with relatively coarse grids gives accurate and reliable numerical solutions for large, small, and in-between values of optical thickness, and, especially in the optically thick regime, the DUGKS demonstrates a pronounced computational efficiency advantage over the conventional numerical models. In addition, the DUGKS has a promising potential in the study of multiscale radiative heat transfer inside the participating medium with a transition from optically thin to optically thick regimes.

Progress toward a unified kJ-machine CANDY

NASA Astrophysics Data System (ADS)

Kitagawa, Yoneyoshi; Mori, Yoshitaka; Komeda, Osamu; Hanayama, Ryohei; Ishii, Katsuhiro; Okihara, Shinichiro; Fujita, Kazuhisa; Nakayama, Suisei; Sekine, Takashi; Sato, Nakahiro; Kurita, Takashi; Kawashima, Toshiyuki; Watari, Takeshi; Kan, Hirofumi; Nakamura, Naoki; Kondo, Takuya; Fujine, Manabu; Azuma, Hirozumi; Motohiro, Tomoyoshi; Hioki, Tatsumi; Kakeno, Mitsutaka; Nishimura, Yasuhiko; Sunahara, Atsushi; Sentoku, Yasuhiko; Miura, Eisuke; Arikawa, Yasunobu; Nagai, Takahiro; Abe, Yuki; Ozaki, Satoshi; Noda, Akira

2016-03-01

To construct a unified experimental machine CANDY using a kJ DPSSL driver in the fast-ignition scheme, the Laser for Fast Ignition Experiment (LFEX) at Osaka is used, showing that the laser-driven ions heat the preimploded core of a deuterated polystyrene (CD) shell target from 0.8 keV to 2 keV, resulting in 5 x 108 DD neutrons best ever obtained in the scheme. 4-J/10-Hz DPSSL laser HAMA is for the first time applied to the CD shell implosion- core heating experiments in the fast ignition scheme to yield neutrons and also to a continuous target injection, which yields neutrons of 3 x 105 n/4πsr n/shot.

Probing Thermomechanics at the Nanoscale: Impulsively Excited Pseudosurface Acoustic Waves in Hypersonic Phononic Crystals

PubMed Central

2011-01-01

High-frequency surface acoustic waves can be generated by ultrafast laser excitation of nanoscale patterned surfaces. Here we study this phenomenon in the hypersonic frequency limit. By modeling the thermomechanics from first-principles, we calculate the system’s initial heat-driven impulsive response and follow its time evolution. A scheme is introduced to quantitatively access frequencies and lifetimes of the composite system’s excited eigenmodes. A spectral decomposition of the calculated response on the eigemodes of the system reveals asymmetric resonances that result from the coupling between surface and bulk acoustic modes. This finding allows evaluation of impulsively excited pseudosurface acoustic wave frequencies and lifetimes and expands our understanding of the scattering of surface waves in mesoscale metamaterials. The model is successfully benchmarked against time-resolved optical diffraction measurements performed on one-dimensional and two-dimensional surface phononic crystals, probed using light at extreme ultraviolet and near-infrared wavelengths. PMID:21910426

QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines

NASA Astrophysics Data System (ADS)

Hagiwara, Yohsuke; Ohta, Takehiro; Tateno, Masaru

2009-02-01

An interface program connecting a quantum mechanics (QM) calculation engine, GAMESS, and a molecular mechanics (MM) calculation engine, AMBER, has been developed for QM/MM hybrid calculations. A protein-DNA complex is used as a test system to investigate the following two types of QM/MM schemes. In a 'subtractive' scheme, electrostatic interactions between QM/MM regions are truncated in QM calculations; in an 'additive' scheme, long-range electrostatic interactions within a cut-off distance from QM regions are introduced into one-electron integration terms of a QM Hamiltonian. In these calculations, 338 atoms are assigned as QM atoms using Hartree-Fock (HF)/density functional theory (DFT) hybrid all-electron calculations. By comparing the results of the additive and subtractive schemes, it is found that electronic structures are perturbed significantly by the introduction of MM partial charges surrounding QM regions, suggesting that biological processes occurring in functional sites are modulated by the surrounding structures. This also indicates that the effects of long-range electrostatic interactions involved in the QM Hamiltonian are crucial for accurate descriptions of electronic structures of biological macromolecules.

The Incorporation and Initialization of Cloud Water/ice in AN Operational Forecast Model

NASA Astrophysics Data System (ADS)

Zhao, Qingyun

Quantitative precipitation forecasts have been one of the weakest aspects of numerical weather prediction models. Theoretical studies show that the errors in precipitation calculation can arise from three sources: errors in the large-scale forecasts of primary variables, errors in the crude treatment of condensation/evaporation and precipitation processes, and errors in the model initial conditions. A new precipitation parameterization scheme has been developed to investigate the forecast value of improved precipitation physics via the introduction of cloud water and cloud ice into a numerical prediction model. The main feature of this scheme is the explicit calculation of cloud water and cloud ice in both the convective and stratiform precipitation parameterization. This scheme has been applied to the eta model at the National Meteorological Center. Four extensive tests have been performed. The statistical results showed a significant improvement in the model precipitation forecasts. Diagnostic studies suggest that the inclusion of cloud ice is important in transferring water vapor to precipitation and in the enhancement of latent heat release; the latter subsequently affects the vertical motion field significantly. Since three-dimensional cloud data is absent from the analysis/assimilation system for most numerical models, a method has been proposed to incorporate observed precipitation and nephanalysis data into the data assimilation system to obtain the initial cloud field for the eta model. In this scheme, the initial moisture and vertical motion fields are also improved at the same time as cloud initialization. The physical initialization is performed in a dynamical initialization framework that uses the Newtonian dynamical relaxation method to nudge the model's wind and mass fields toward analyses during a 12-hour data assimilation period. Results from a case study showed that a realistic cloud field was produced by this method at the end of the data assimilation period. Precipitation forecasts have been significantly improved as a result of the improved initial cloud, moisture and vertical motion fields.

Unified implicit kinetic scheme for steady multiscale heat transfer based on the phonon Boltzmann transport equation

NASA Astrophysics Data System (ADS)

Zhang, Chuang; Guo, Zhaoli; Chen, Songze

2017-12-01

An implicit kinetic scheme is proposed to solve the stationary phonon Boltzmann transport equation (BTE) for multiscale heat transfer problem. Compared to the conventional discrete ordinate method, the present method employs a macroscopic equation to accelerate the convergence in the diffusive regime. The macroscopic equation can be taken as a moment equation for phonon BTE. The heat flux in the macroscopic equation is evaluated from the nonequilibrium distribution function in the BTE, while the equilibrium state in BTE is determined by the macroscopic equation. These two processes exchange information from different scales, such that the method is applicable to the problems with a wide range of Knudsen numbers. Implicit discretization is implemented to solve both the macroscopic equation and the BTE. In addition, a memory reduction technique, which is originally developed for the stationary kinetic equation, is also extended to phonon BTE. Numerical comparisons show that the present scheme can predict reasonable results both in ballistic and diffusive regimes with high efficiency, while the memory requirement is on the same order as solving the Fourier law of heat conduction. The excellent agreement with benchmark and the rapid converging history prove that the proposed macro-micro coupling is a feasible solution to multiscale heat transfer problems.

Detection-enhanced steady state entanglement with ions.

PubMed

Bentley, C D B; Carvalho, A R R; Kielpinski, D; Hope, J J

2014-07-25

Driven dissipative steady state entanglement schemes take advantage of coupling to the environment to robustly prepare highly entangled states. We present a scheme for two trapped ions to generate a maximally entangled steady state with fidelity above 0.99, appropriate for use in quantum protocols. Furthermore, we extend the scheme by introducing detection of our dissipation process, significantly enhancing the fidelity. Our scheme is robust to anomalous heating and requires no sympathetic cooling.

Analytical scheme calculations of angular momentum coupling and recoupling coefficients

NASA Astrophysics Data System (ADS)

Deveikis, A.; Kuznecovas, A.

2007-03-01

We investigate the Scheme programming language opportunities to analytically calculate the Clebsch-Gordan coefficients, Wigner 6j and 9j symbols, and general recoupling coefficients that are used in the quantum theory of angular momentum. The considered coefficients are calculated by a direct evaluation of the sum formulas. The calculation results for large values of quantum angular momenta were compared with analogous calculations with FORTRAN and Java programming languages.

α Heating in a Stagnated Z-pinch

NASA Astrophysics Data System (ADS)

Appelbe, Brian; Chittenden, Jeremy

2009-01-01

A computational investigation of a scheme for magneto-inertial confinement fusion in a Z-pinch is carried out. In the scheme implosion of a deuterium-tritium fuel mass is preceded by formation of a hotspot containing warm, dense plasma on axis. The presence of the hotspot increases energy yield. Compression of the hotspot by the main fuel mass initiates thermonuclear burn. There is significant heating of the plasma by thermonuclear α particles which are confined by the strong magnetic field of the Z-pinch.

How do Stability Corrections Perform in the Stable Boundary Layer Over Snow?

NASA Astrophysics Data System (ADS)

Schlögl, Sebastian; Lehning, Michael; Nishimura, Kouichi; Huwald, Hendrik; Cullen, Nicolas J.; Mott, Rebecca

2017-10-01

We assess sensible heat-flux parametrizations in stable conditions over snow surfaces by testing and developing stability correction functions for two alpine and two polar test sites. Five turbulence datasets are analyzed with respect to, (a) the validity of the Monin-Obukhov similarity theory, (b) the model performance of well-established stability corrections, and (c) the development of new univariate and multivariate stability corrections. Using a wide range of stability corrections reveals an overestimation of the turbulent sensible heat flux for high wind speeds and a generally poor performance of all investigated functions for large temperature differences between snow and the atmosphere above (>10 K). Applying the Monin-Obukhov bulk formulation introduces a mean absolute error in the sensible heat flux of 6 W m^{-2} (compared with heat fluxes calculated directly from eddy covariance). The stability corrections produce an additional error between 1 and 5 W m^{-2}, with the smallest error for published stability corrections found for the Holtslag scheme. We confirm from previous studies that stability corrections need improvements for large temperature differences and wind speeds, where sensible heat fluxes are distinctly overestimated. Under these atmospheric conditions our newly developed stability corrections slightly improve the model performance. However, the differences between stability corrections are typically small when compared to the residual error, which stems from the Monin-Obukhov bulk formulation.

Supersonic Free-Jet Combustion in a Ramjet Burner

NASA Technical Reports Server (NTRS)

Trefny, Charles J.; Dippold, Vance F., III

2010-01-01

A new dual-mode ramjet combustor concept intended for operation over a wide flight Mach number range is described. Subsonic combustion mode is similar to that of a traditional ram combustor which allows operation at higher efficiency, and to lower flight Mach numbers than current dual-mode scramjets. High speed mode is characterized by supersonic combustion in a free-jet that traverses the subsonic combustion chamber to a variable nozzle. The maximum flight Mach number of this scheme is governed largely by the same physics as its classical counterpart. Although a variable combustor exit aperture is required, the need for fuel staging to accommodate the combustion process is eliminated. Local heating from shock-boundary-layer interactions on combustor walls is also eliminated. Given the parallel nature of the present scheme, overall flowpath length is less than that of present dual-mode configurations. Cycle analysis was done to define the flowpath geometry for computational fluid dynamics (CFD) analysis, and then to determine performance based on the CFD results. CFD results for Mach 5, 8, and 12 flight conditions indicate stable supersonic free-jet formation and nozzle reattachment, thereby establishing the basic feasibility of the concept. These results also reveal the structure of, and interactions between the free-jet and recirculating combustion chamber flows. Performance based on these CFD results is slightly less than that of the constant-pressure-combustion cycle analysis primarily due to these interactions. These differences are quantified and discussed. Additional CFD results at the Mach 8 flight condition show the effects of nozzle throat area variation on combustion chamber pressure, flow structure, and performance. Calculations with constant temperature walls were also done to evaluate heat flux and overall heat loads. Aspects of the concept that warrant further study are outlined. These include diffuser design, ramjet operation, mode transition, loss mechanisms, and the effects of secondary flow for wall cooling and combustion chamber pressurization. Also recommended is an examination of system-level aspects such as weight, thermal management and rocket integration as well as alternate geometries and variable geometry schemes.

Validation of the Martilli's Urban Boundary Layer Scheme with measurements from two mid-latitude European cities

NASA Astrophysics Data System (ADS)

Hamdi, R.; Schayes, G.

2005-07-01

The Martilli's urban parameterization scheme is improved and implemented in a mesoscale model in order to take into account the typical effects of a real city on the air temperature near the ground and on the surface exchange fluxes. The mesoscale model is run on a single column using atmospheric data and radiation recorded above roof level as forcing. Here, the authors validate the Martilli's urban boundary layer scheme using measurements from two mid-latitude European cities: Basel, Switzerland and Marseilles, France. For Basel, the model performance is evaluated with observations of canyon temperature, surface radiation, and energy balance fluxes obtained during the Basel urban boundary layer experiment (BUBBLE). The results show that the urban parameterization scheme is able to reproduce the generation of the Urban Heat Island (UHI) effect over urban area and represents correctly most of the behavior of the fluxes typical of the city center of Basel, including the large heat uptake by the urban fabric and the positive sensible heat flux at night. For Marseilles, the model performance is evaluated with observations of surface temperature, canyon temperature, surface radiation, and energy balance fluxes collected during the field experiments to constrain models of atmospheric pollution and transport of emissions (ESCOMPTE) and its urban boundary layer (UBL) campaign. At both urban sites, vegetation cover is less than 20%, therefore, particular attention was directed to the ability of the Martilli's urban boundary layer scheme to reproduce the observations for the Marseilles city center, where the urban parameters and the synoptic forcing are totally different from Basel. Evaluation of the model with wall, road, and roof surface temperatures gave good results. The model correctly simulates the net radiation, canyon temperature, and the partitioning between the turbulent and storage heat fluxes.

Power requirements for electron cyclotron current drive and ion cyclotron resonance heating for sawtooth control in ITER

NASA Astrophysics Data System (ADS)

Chapman, I. T.; Graves, J. P.; Sauter, O.; Zucca, C.; Asunta, O.; Buttery, R. J.; Coda, S.; Goodman, T.; Igochine, V.; Johnson, T.; Jucker, M.; La Haye, R. J.; Lennholm, M.; Contributors, JET-EFDA

2013-06-01

13 MW of electron cyclotron current drive (ECCD) power deposited inside the q = 1 surface is likely to reduce the sawtooth period in ITER baseline scenario below the level empirically predicted to trigger neoclassical tearing modes (NTMs). However, since the ECCD control scheme is solely predicated upon changing the local magnetic shear, it is prudent to plan to use a complementary scheme which directly decreases the potential energy of the kink mode in order to reduce the sawtooth period. In the event that the natural sawtooth period is longer than expected, due to enhanced α particle stabilization for instance, this ancillary sawtooth control can be provided from >10MW of ion cyclotron resonance heating (ICRH) power with a resonance just inside the q = 1 surface. Both ECCD and ICRH control schemes would benefit greatly from active feedback of the deposition with respect to the rational surface. If the q = 1 surface can be maintained closer to the magnetic axis, the efficacy of ECCD and ICRH schemes significantly increases, the negative effect on the fusion gain is reduced, and off-axis negative-ion neutral beam injection (NNBI) can also be considered for sawtooth control. Consequently, schemes to reduce the q = 1 radius are highly desirable, such as early heating to delay the current penetration and, of course, active sawtooth destabilization to mediate small frequent sawteeth and retain a small q = 1 radius. Finally, there remains a residual risk that the ECCD + ICRH control actuators cannot keep the sawtooth period below the threshold for triggering NTMs (since this is derived only from empirical scaling and the control modelling has numerous caveats). If this is the case, a secondary control scheme of sawtooth stabilization via ECCD + ICRH + NNBI, interspersed with deliberate triggering of a crash through auxiliary power reduction and simultaneous pre-emptive NTM control by off-axis ECCD has been considered, permitting long transient periods with high fusion gain. The power requirements for the necessary degree of sawtooth control using either destabilization or stabilization schemes are expected to be within the specification of anticipated ICRH and ECRH heating in ITER, provided the requisite power can be dedicated to sawtooth control.

Theoretical characterization of photoinduced electron transfer in rigidly linked donor-acceptor molecules: the fragment charge difference and the generalized Mulliken-Hush schemes

NASA Astrophysics Data System (ADS)

Lee, Sheng-Jui; Chen, Hung-Cheng; You, Zhi-Qiang; Liu, Kuan-Lin; Chow, Tahsin J.; Chen, I.-Chia; Hsu, Chao-Ping

2010-10-01

We calculate the electron transfer (ET) rates for a series of heptacyclo[6.6.0.02,6.03,13.014,11.05,9.010,14]-tetradecane (HCTD) linked donor-acceptor molecules. The electronic coupling factor was calculated by the fragment charge difference (FCD) [19] and the generalized Mulliken-Hush (GMH) schemes [20]. We found that the FCD is less prone to problems commonly seen in the GMH scheme, especially when the coupling values are small. For a 3-state case where the charge transfer (CT) state is coupled with two different locally excited (LE) states, we tested with the 3-state approach for the GMH scheme [30], and found that it works well with the FCD scheme. A simplified direct diagonalization based on Rust's 3-state scheme was also proposed and tested. This simplified scheme does not require a manual assignment of the states, and it yields coupling values that are largely similar to those from the full Rust's approach. The overall electron transfer (ET) coupling rates were also calculated.

Progress in remote sensing of global land surface heat fluxes and evaporations with a turbulent heat exchange parameterization method

NASA Astrophysics Data System (ADS)

Chen, Xuelong; Su, Bob

2017-04-01

Remote sensing has provided us an opportunity to observe Earth land surface with a much higher resolution than any of GCM simulation. Due to scarcity of information for land surface physical parameters, up-to-date GCMs still have large uncertainties in the coupled land surface process modeling. One critical issue is a large amount of parameters used in their land surface models. Thus remote sensing of land surface spectral information can be used to provide information on these parameters or assimilated to decrease the model uncertainties. Satellite imager could observe the Earth land surface with optical, thermal and microwave bands. Some basic Earth land surface status (land surface temperature, canopy height, canopy leaf area index, soil moisture etc.) has been produced with remote sensing technique, which already help scientists understanding Earth land and atmosphere interaction more precisely. However, there are some challenges when applying remote sensing variables to calculate global land-air heat and water exchange fluxes. Firstly, a global turbulent exchange parameterization scheme needs to be developed and verified, especially for global momentum and heat roughness length calculation with remote sensing information. Secondly, a compromise needs to be innovated to overcome the spatial-temporal gaps in remote sensing variables to make the remote sensing based land surface fluxes applicable for GCM model verification or comparison. A flux network data library (more 200 flux towers) was collected to verify the designed method. Important progress in remote sensing of global land flux and evaporation will be presented and its benefits for GCM models will also be discussed. Some in-situ studies on the Tibetan Plateau and problems of land surface process simulation will also be discussed.

Study of selective heating at ion cyclotron resonance for the plasma separation process

NASA Astrophysics Data System (ADS)

Compant La Fontaine, A.; Pashkovsky, V. G.

1995-12-01

The plasma separation process by ion cyclotron resonance heating (ICRH) is studied both theoretically and experimentally on two devices: the first one called ERIC (Ion Cyclotron Resonance Experiment) at Saclay (France) [P. Louvet, Proceedings of the 2nd Workshop on Separation Phenomena in Liquids and Gases, Versailles, France, 1989, edited by P. Louvet, P. Noe, and Soubbaramayer (Centre d'Etudes Nucléaires de Saclay and Cité Scientifique Parcs et Technopoles, Ile de France Sud, France, 1989), Vol. 1, p. 5] and the other one named SIRENA at the Kurchatov Institute, Moscow, Russia [A. I. Karchevskii et al., Plasma Phys. Rep. 19, 214 (1993)]. The radio frequency (RF) transversal magnetic field is measured by a magnetic probe both in plasma and vacuum and its Fourier spectrum versus the axial wave number kz is obtained. These results are in agreement with the electromagnetic (EM) field calculation model based on resolution of Maxwell equations by a time-harmonic scheme studied here. Various axial boundary conditions models used to compute the EM field are considered. The RF magnetic field is weakly influenced by the plasma while the electric field components are strongly disturbed due to space-charge effects. In the plasma the transversal electric field is enhanced and the kz spectrum is narrower than in vacuum. The calculation of the resonant isotope heating is made by the Runge-Kutta method. The influence of ion-ion collisions, inhomogeneity of the static magnetic field B0, and the RF transversal magnetic field component on the ion acceleration is examined. These results are successfully compared with experiments of a minor isotope 44Ca heating measurements, made with an energy analyzer.

Evaluation of parameterization for turbulent fluxes of momentum and heat in stably stratified surface layers

NASA Astrophysics Data System (ADS)

Sodemann, H.; Foken, Th.

2003-04-01

General Circulation Models calculate the energy exchange between surface and atmosphere by means of parameterisations for turbulent fluxes of momentum and heat in the surface layer. However, currently implemented parameterisations after Louis (1979) create large discrepancies between predictions and observational data, especially in stably stratified surface layers. This work evaluates a new surface layer parameterisation proposed by Zilitinkevich et al. (2002), which was specifically developed to improve energy flux predictions in stable stratification. The evaluation comprises a detailed study of important surface layer characteristics, a sensitivity study of the parameterisation, and a direct comparison to observational data from Antarctica and predictions by the Louis (1979) parameterisation. The stability structure of the stable surface layer was found to be very complex, and strongly influenced fluxes in the surface layer. The sensitivity study revealed that the new parameterisation depends strongly on the ratio between roughness length and roughness temperature, which were both observed to be very variable parameters. The comparison between predictions and measurements showed good agreement for momentum fluxes, but large discrepancies for heat fluxes. A stability dependent evaluation of selected data showed better agreement for the new parameterisation of Zilitinkevich et al. (2002) than for the Louis (1979) scheme. Nevertheless, this comparison underlines the need for more detailed and physically sound concepts for parameterisations of heat fluxes in stably stratified surface layers. Zilitinkevich, S. S., V. Perov and J. C. King (2002). "Near-surface turbulent fluxes in stable stratification: Calculation techniques for use in General Circulation Models." Q. J. R. Meteorol. Soc. 128(583): 1571--1587. Louis, J. F. (1979). "A Parametric Model of Vertical Eddy Fluxes in the Atmosphere." Bound.-Layer Meteor. 17(2): 187--202.

Nyx: Adaptive mesh, massively-parallel, cosmological simulation code

NASA Astrophysics Data System (ADS)

Almgren, Ann; Beckner, Vince; Friesen, Brian; Lukic, Zarija; Zhang, Weiqun

2017-12-01

Nyx code solves equations of compressible hydrodynamics on an adaptive grid hierarchy coupled with an N-body treatment of dark matter. The gas dynamics in Nyx use a finite volume methodology on an adaptive set of 3-D Eulerian grids; dark matter is represented as discrete particles moving under the influence of gravity. Particles are evolved via a particle-mesh method, using Cloud-in-Cell deposition/interpolation scheme. Both baryonic and dark matter contribute to the gravitational field. In addition, Nyx includes physics for accurately modeling the intergalactic medium; in optically thin limits and assuming ionization equilibrium, the code calculates heating and cooling processes of the primordial-composition gas in an ionizing ultraviolet background radiation field.

Chemical vapor deposition fluid flow simulation modelling tool

NASA Technical Reports Server (NTRS)

Bullister, Edward T.

1992-01-01

Accurate numerical simulation of chemical vapor deposition (CVD) processes requires a general purpose computational fluid dynamics package combined with specialized capabilities for high temperature chemistry. In this report, we describe the implementation of these specialized capabilities in the spectral element code NEKTON. The thermal expansion of the gases involved is shown to be accurately approximated by the low Mach number perturbation expansion of the incompressible Navier-Stokes equations. The radiative heat transfer between multiple interacting radiating surfaces is shown to be tractable using the method of Gebhart. The disparate rates of reaction and diffusion in CVD processes are calculated via a point-implicit time integration scheme. We demonstrate the use above capabilities on prototypical CVD applications.

A scheme for computing surface layer turbulent fluxes from mean flow surface observations

NASA Technical Reports Server (NTRS)

Hoffert, M. I.; Storch, J.

1978-01-01

A physical model and computational scheme are developed for generating turbulent surface stress, sensible heat flux and humidity flux from mean velocity, temperature and humidity at some fixed height in the atmospheric surface layer, where conditions at this reference level are presumed known from observations or the evolving state of a numerical atmospheric circulation model. The method is based on coupling the Monin-Obukov surface layer similarity profiles which include buoyant stability effects on mean velocity, temperature and humidity to a force-restore formulation for the evolution of surface soil temperature to yield the local values of shear stress, heat flux and surface temperature. A self-contained formulation is presented including parameterizations for solar and infrared radiant fluxes at the surface. Additional parameters needed to implement the scheme are the thermal heat capacity of the soil per unit surface area, surface aerodynamic roughness, latitude, solar declination, surface albedo, surface emissivity and atmospheric transmissivity to solar radiation.

Importance biasing scheme implemented in the PRIZMA code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kandiev, I.Z.; Malyshkin, G.N.

1997-12-31

PRIZMA code is intended for Monte Carlo calculations of linear radiation transport problems. The code has wide capabilities to describe geometry, sources, material composition, and to obtain parameters specified by user. There is a capability to calculate path of particle cascade (including neutrons, photons, electrons, positrons and heavy charged particles) taking into account possible transmutations. Importance biasing scheme was implemented to solve the problems which require calculation of functionals related to small probabilities (for example, problems of protection against radiation, problems of detection, etc.). The scheme enables to adapt trajectory building algorithm to problem peculiarities.

The first-principle coupled calculations using TMCC and CFX for the pin-wise simulation of LWR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, L.; Wang, K.

2012-07-01

The coupling of neutronics and thermal-hydraulics plays an important role in the reactor safety, core design and operation of nuclear power facilities. This paper introduces the research on the coupling of Monte Carlo method and CFD method, specifically using TMCC and CFX. The methods of the coupling including the coupling approach, data transfer, mesh mapping and transient coupling scheme are studied firstly. The coupling of TMCC and CFX for the steady state calculations is studied and described for the single rod model and the 3 x 3 Rod Bundle model. The calculation results prove that the coupling method is feasiblemore » and the coupled calculation can be used for steady state calculations. However, the oscillation which occurs during the coupled calculation indicates that this method still needs to be improved for the accuracy. Then the coupling for the transient calculations is also studied and tested by two cases of the steady state and the lost of heat sink. The preliminary results of the transient coupled calculations indicates that the transient coupling with TMCC and CFX is able to simulate the transients but instabilities are occurring. It is also concluded that the transient coupling of TMCC and CFX needs to be improved due to the limitation of computational resource and the difference of time scales. (authors)« less

Extension of the ECRH operational space with O2 and X3 heating schemes to control tungsten accumulation in ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Höhnle, H.; Stober, J.; Herrmann, A.; Kasparek, W.; Leuterer, F.; Monaco, F.; Neu, R.; Schmid-Lorch, D.; Schütz, H.; Schweinzer, J.; Stroth, U.; Wagner, D.; Vorbrugg, S.; Wolfrum, E.; ASDEX Upgrade Team

2011-08-01

ASDEX Upgrade has been operated with tungsten-coated plasma-facing components for several years. H-mode operation with good confinement has been demonstrated. Nevertheless, purely neutral beam injection-heated H-modes with reduced gas puff, moderate heating power or/and increased triangularity tend to accumulate tungsten, followed by a radiative collapse. Under these conditions, central electron heating with electron cyclotron resonance heating (ECRH), usually in X2 polarization, changes the impurity transport in the plasma centre, reducing the central tungsten concentration and, in many cases, stabilizing the plasma. In order to extend the applicability of central ECRH to a wider range of magnetic field and plasma current additional ECRH schemes with reduced single-pass absorption have been implemented: X3 heating allows us to reduce the magnetic field by 30%, such that the first H-modes with an ITER-like value of the safety factor of q95 = 3 could be run in the tungsten-coated device. O2 heating increases the cutoff density by a factor of 2 allowing higher currents and triangularities to be addressed. For both schemes, scenarios have been developed to cope with the associated reduced absorption. In the case of central X3 heating, the X2 resonance lies close to the pedestal top at the high-field side of the plasma, serving as a beam dump. For O2, holographic mirrors have been developed which guarantee a second pass through the plasma centre. The beam position on these reflectors is controlled by fast thermocouples. Stray-radiation protection has been implemented using sniffer probes.

Estimation of Melting Points of Organics.

PubMed

Yalkowsky, Samuel H; Alantary, Doaa

2018-05-01

Unified physicochemical property estimation relationships is a system of empirical and theoretical relationships that relate 20 physicochemical properties of organic molecules to each other and to chemical structure. Melting point is a key parameter in the unified physicochemical property estimation relationships scheme because it is a determinant of several other properties including vapor pressure, and solubility. This review describes the first-principals calculation of the melting points of organic compounds from structure. The calculation is based on the fact that the melting point, T m , is equal to the ratio of the heat of melting, ΔH m , to the entropy of melting, ΔS m . The heat of melting is shown to be an additive constitutive property. However, the entropy of melting is not entirely group additive. It is primarily dependent on molecular geometry, including parameters which reflect the degree of restriction of molecular motion in the crystal to that of the liquid. Symmetry, eccentricity, chirality, flexibility, and hydrogen bonding, each affect molecular freedom in different ways and thus make different contributions to the total entropy of fusion. The relationships of these entropy determining parameters to chemical structure are used to develop a reasonably accurate means of predicting the melting points over 2000 compounds. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

The criterial optics of oceans and glaciers with technogenic pollutions

NASA Astrophysics Data System (ADS)

Merzlikin, V. G.; Ilushin, Ya. A.; Olenin, A. L.; Sidorov, O. V.; Tovstonog, V. A.

2017-02-01

Effective diagnostics of natural and technogenic pollutions of the ocean and forming snow-ice cover is considered on the basis of priority observation and registration of the changing optical characteristics of the seawater and glaciers. The paper discusses Influence of abnormal optical properties on overheating of the seawater subsurface layer and appearance of significant irradiated oceanic deep horizons up to 100 m. Additional heating of atmosphere, strengthening of hurricanes during a storm, tornadogenesis, generation of dehydrated convective air flows at a calm and effect of overcooling deep seawater is analyzed using the scheme of calculated heat budget and temperature distributions under combined solar and atmospheric exposure. The authors propose to use their unique deep hydrological multi-channel probe for synchronous and independent registration of optical, temperature and other standard hydro physical characteristics developed by Shirshov Institute of Oceanology. The paper presents calculation algorithm of real variability of spatial and temporal temperature field due to influence of registered concentration field of foreign substances in the seawater irrespective of its hydrodynamic conditions. Inphase or antiphase changes of fixed temperature gradients and transparency for polluted seawater has been explained as the result of the various contributions of scattering and absorption within attenuation processes of probing radiation for the local volume at a specified depth.

Evaluation of a transfinite element numerical solution method for nonlinear heat transfer problems

NASA Technical Reports Server (NTRS)

Cerro, J. A.; Scotti, S. J.

1991-01-01

Laplace transform techniques have been widely used to solve linear, transient field problems. A transform-based algorithm enables calculation of the response at selected times of interest without the need for stepping in time as required by conventional time integration schemes. The elimination of time stepping can substantially reduce computer time when transform techniques are implemented in a numerical finite element program. The coupling of transform techniques with spatial discretization techniques such as the finite element method has resulted in what are known as transfinite element methods. Recently attempts have been made to extend the transfinite element method to solve nonlinear, transient field problems. This paper examines the theoretical basis and numerical implementation of one such algorithm, applied to nonlinear heat transfer problems. The problem is linearized and solved by requiring a numerical iteration at selected times of interest. While shown to be acceptable for weakly nonlinear problems, this algorithm is ineffective as a general nonlinear solution method.

Next Generation Clustered Heat Maps | Informatics Technology for Cancer Research (ITCR)

Cancer.gov

Next-Generation (Clustered) Heat Maps are interactive heat maps that enable the user to zoom and pan across the heatmap, alter its color scheme, generate production quality PDFs, and link out from rows, columns, and individual heatmap entries to related statistics, databases and other information.

District heating and cooling systems for communities through power plant retrofit distribution network. Volume 3. Final report, September 1, 1978-May 31, 1979

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

This final report of Phase I of the study presents Task 4, Technical Review and Assessment. The most-promising district-heating concept identified in the Phase I study for the Public Service Electric and Gas Company, Newark, New Jersey, is a hot-water system in which steam is extracted from an existing turbine and used to drive a new, small backpressure turbine-generator. The backpressure turbine provides heat for district heating and simultaneously provides additional electric-generating capacity to partially offset the capacity lost due to the steam extraction. This approach is the most-economical way to retrofit the stations studied for district heating while minimizingmore » electric-capacity loss. Nine fossil-fuel-fired stations within the PSE and G system were evaluated for possibly supplying heat for district heating and cooling in cogeneration operations, but only three were selected to supply the district-heating steam. They are Essex, Hudson, and Bergen. Plant retrofit, thermal distribution schemes, consumer-conversion scheme, and consumer-metering system are discussed. Extensive technical information is provided in 16 appendices, additional tables, figures, and drawings. (MCW)« less

Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Warming, R. F.; Harten, A.

1983-01-01

The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme.

Numerical simulation of transient, incongruent vaporization induced by high power laser

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tsai, C.H.

1981-01-01

A mathematical model and numerical calculations were developed to solve the heat and mass transfer problems specifically for uranum oxide subject to laser irradiation. It can easily be modified for other heat sources or/and other materials. In the uranium-oxygen system, oxygen is the preferentially vaporizing component, and as a result of the finite mobility of oxygen in the solid, an oxygen deficiency is set up near the surface. Because of the bivariant behavior of uranium oxide, the heat transfer problem and the oxygen diffusion problem are coupled and a numerical method of simultaneously solving the two boundary value problems ismore » studied. The temperature dependence of the thermal properties and oxygen diffusivity, as well as the highly ablative effect on the surface, leads to considerable non-linearities in both the governing differential equations and the boundary conditions. Based on the earlier work done in this laboratory by Olstad and Olander on Iron and on Zirconium hydride, the generality of the problem is expanded and the efficiency of the numerical scheme is improved. The finite difference method, along with some advanced numerical techniques, is found to be an efficient way to solve this problem.« less

Proxy-SU(3) symmetry in heavy deformed nuclei

NASA Astrophysics Data System (ADS)

Bonatsos, Dennis; Assimakis, I. E.; Minkov, N.; Martinou, Andriana; Cakirli, R. B.; Casten, R. F.; Blaum, K.

2017-06-01

Background: Microscopic calculations of heavy nuclei face considerable difficulties due to the sizes of the matrices that need to be solved. Various approximation schemes have been invoked, for example by truncating the spaces, imposing seniority limits, or appealing to various symmetry schemes such as pseudo-SU(3). This paper proposes a new symmetry scheme also based on SU(3). This proxy-SU(3) can be applied to well-deformed nuclei, is simple to use, and can yield analytic predictions. Purpose: To present the new scheme and its microscopic motivation, and to test it using a Nilsson model calculation with the original shell model orbits and with the new proxy set. Method: We invoke an approximate, analytic, treatment of the Nilsson model, that allows the above vetting and yet is also transparent in understanding the approximations involved in the new proxy-SU(3). Results: It is found that the new scheme yields a Nilsson diagram for well-deformed nuclei that is very close to the original Nilsson diagram. The specific levels of approximation in the new scheme are also shown, for each major shell. Conclusions: The new proxy-SU(3) scheme is a good approximation to the full set of orbits in a major shell. Being able to replace a complex shell model calculation with a symmetry-based description now opens up the possibility to predict many properties of nuclei analytically and often in a parameter-free way. The new scheme works best for heavier nuclei, precisely where full microscopic calculations are most challenged. Some cases in which the new scheme can be used, often analytically, to make specific predictions, are shown in a subsequent paper.

Real-time aerodynamic heating and surface temperature calculations for hypersonic flight simulation

NASA Technical Reports Server (NTRS)

Quinn, Robert D.; Gong, Leslie

1990-01-01

A real-time heating algorithm was derived and installed on the Ames Research Center Dryden Flight Research Facility real-time flight simulator. This program can calculate two- and three-dimensional stagnation point surface heating rates and surface temperatures. The two-dimensional calculations can be made with or without leading-edge sweep. In addition, upper and lower surface heating rates and surface temperatures for flat plates, wedges, and cones can be calculated. Laminar or turbulent heating can be calculated, with boundary-layer transition made a function of free-stream Reynolds number and free-stream Mach number. Real-time heating rates and surface temperatures calculated for a generic hypersonic vehicle are presented and compared with more exact values computed by a batch aeroheating program. As these comparisons show, the heating algorithm used on the flight simulator calculates surface heating rates and temperatures well within the accuracy required to evaluate flight profiles for acceptable heating trajectories.

Near-field refrigeration and tunable heat exchange through four-wave mixing

NASA Astrophysics Data System (ADS)

Khandekar, Chinmay; Messina, Riccardo; Rodriguez, Alejandro W.

2018-05-01

We modify and extend a recently proposed four-wave mixing scheme [C. Khandekar and A. Rodriguez, Opt. Express 25(19), 23164 (2017)] for achieving near-field thermal upconversion and energy transfer, to demonstrate efficient thermal refrigeration at low intensities ˜ 109W/m2 over a wide range of gap sizes (from tens to hundreds of nanometers) and operational temperatures (from tens to hundreds of Kelvins). We further exploit the scheme to achieve magnitude and directional tunability of near-field heat exchange between bodies held at different temperatures.

Hierarchical Parallelism in Finite Difference Analysis of Heat Conduction

NASA Technical Reports Server (NTRS)

Padovan, Joseph; Krishna, Lala; Gute, Douglas

1997-01-01

Based on the concept of hierarchical parallelism, this research effort resulted in highly efficient parallel solution strategies for very large scale heat conduction problems. Overall, the method of hierarchical parallelism involves the partitioning of thermal models into several substructured levels wherein an optimal balance into various associated bandwidths is achieved. The details are described in this report. Overall, the report is organized into two parts. Part 1 describes the parallel modelling methodology and associated multilevel direct, iterative and mixed solution schemes. Part 2 establishes both the formal and computational properties of the scheme.

Finite Differences and Collocation Methods for the Solution of the Two Dimensional Heat Equation

NASA Technical Reports Server (NTRS)

Kouatchou, Jules

1999-01-01

In this paper we combine finite difference approximations (for spatial derivatives) and collocation techniques (for the time component) to numerically solve the two dimensional heat equation. We employ respectively a second-order and a fourth-order schemes for the spatial derivatives and the discretization method gives rise to a linear system of equations. We show that the matrix of the system is non-singular. Numerical experiments carried out on serial computers, show the unconditional stability of the proposed method and the high accuracy achieved by the fourth-order scheme.

Computational flow field in energy efficient engine (EEE)

NASA Astrophysics Data System (ADS)

Miki, Kenji; Moder, Jeff; Liou, Meng-Sing

2016-11-01

In this paper, preliminary results for the recently-updated Open National Combustor Code (Open NCC) as applied to the EEE are presented. The comparison between two different numerical schemes, the standard Jameson-Schmidt-Turkel (JST) scheme and the advection upstream splitting method (AUSM), is performed for the cold flow and the reacting flow calculations using the RANS. In the cold flow calculation, the AUSM scheme predicts a much stronger reverse flow in the central recirculation zone. In the reacting flow calculation, we test two cases: gaseous fuel injection and liquid spray injection. In the gaseous fuel injection case, the overall flame structures of the two schemes are similar to one another, in the sense that the flame is attached to the main nozzle, but is detached from the pilot nozzle. However, in the exit temperature profile, the AUSM scheme shows a more uniform profile than that of the JST scheme, which is close to the experimental data. In the liquid spray injection case, we expect different flame structures in this scenario. We will give a brief discussion on how two numerical schemes predict the flame structures inside the Eusing different ways to introduce the fuel injection. Supported by NASA's Transformational Tools and Technologies project.

Computational Flow Field in Energy Efficient Engine (EEE)

NASA Technical Reports Server (NTRS)

Miki, Kenji; Moder, Jeff; Liou, Meng-Sing

2016-01-01

In this paper, preliminary results for the recently-updated Open National Combustion Code (Open NCC) as applied to the EEE are presented. The comparison between two different numerical schemes, the standard Jameson-Schmidt-Turkel (JST) scheme and the advection upstream splitting method (AUSM), is performed for the cold flow and the reacting flow calculations using the RANS. In the cold flow calculation, the AUSM scheme predicts a much stronger reverse flow in the central recirculation zone. In the reacting flow calculation, we test two cases: gaseous fuel injection and liquid spray injection. In the gaseous fuel injection case, the overall flame structures of the two schemes are similar to one another, in the sense that the flame is attached to the main nozzle, but is detached from the pilot nozzle. However, in the exit temperature profile, the AUSM scheme shows a more uniform profile than that of the JST scheme, which is close to the experimental data. In the liquid spray injection case, we expect different flame structures in this scenario. We will give a brief discussion on how two numerical schemes predict the flame structures inside the EEE using different ways to introduce the fuel injection.

A fast numerical scheme for causal relativistic hydrodynamics with dissipation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takamoto, Makoto, E-mail: takamoto@tap.scphys.kyoto-u.ac.jp; Inutsuka, Shu-ichiro

2011-08-01

Highlights: {yields} We have developed a new multi-dimensional numerical scheme for causal relativistic hydrodynamics with dissipation. {yields} Our new scheme can calculate the evolution of dissipative relativistic hydrodynamics faster and more effectively than existing schemes. {yields} Since we use the Riemann solver for solving the advection steps, our method can capture shocks very accurately. - Abstract: In this paper, we develop a stable and fast numerical scheme for relativistic dissipative hydrodynamics based on Israel-Stewart theory. Israel-Stewart theory is a stable and causal description of dissipation in relativistic hydrodynamics although it includes relaxation process with the timescale for collision of constituentmore » particles, which introduces stiff equations and makes practical numerical calculation difficult. In our new scheme, we use Strang's splitting method, and use the piecewise exact solutions for solving the extremely short timescale problem. In addition, since we split the calculations into inviscid step and dissipative step, Riemann solver can be used for obtaining numerical flux for the inviscid step. The use of Riemann solver enables us to capture shocks very accurately. Simple numerical examples are shown. The present scheme can be applied to various high energy phenomena of astrophysics and nuclear physics.« less

Performance of Goddard Earth Observing System GCM Column Radiation Models under Heterogeneous Cloud Conditions

NASA Technical Reports Server (NTRS)

Oreopoulos, L.; Chou, M.-D.; Khairoutdinov, M.; Barker, H. W.; Cahalan, R. F.

2003-01-01

We test the performance of the shortwave (SW) and longwave (LW) Column Radiation Models (CORAMs) of Chou and collaborators with heterogeneous cloud fields from a global single-day dataset produced by NCAR's Community Atmospheric Model with a 2-D CRM installed in each gridbox. The original SW version of the CORAM performs quite well compared to reference Independent Column Approximation (ICA) calculations for boundary fluxes, largely due to the success of a combined overlap and cloud scaling parameterization scheme. The absolute magnitude of errors relative to ICA are even smaller for the LW CORAM which applies similar overlap. The vertical distribution of heating and cooling within the atmosphere is also simulated quite well with daily-averaged zonal errors always below 0.3 K/d for SW heating rates and 0.6 K/d for LW cooling rates. The SW CORAM's performance improves by introducing a scheme that accounts for cloud inhomogeneity. These results suggest that previous studies demonstrating the inaccuracy of plane-parallel models may have unfairly focused on worst scenario cases, and that current radiative transfer algorithms of General Circulation Models (GCMs) may be more capable than previously thought in estimating realistic spatial and temporal averages of radiative fluxes, as long as they are provided with correct mean cloud profiles. However, even if the errors of the particular CORAMs are small, they seem to be systematic, and the impact of the biases can be fully assessed only with GCM climate simulations.

Improving Lightning and Precipitation Prediction of Severe Convection Using Lightning Data Assimilation With NCAR WRF-RTFDDA

NASA Astrophysics Data System (ADS)

Wang, Haoliang; Liu, Yubao; Cheng, William Y. Y.; Zhao, Tianliang; Xu, Mei; Liu, Yuewei; Shen, Si; Calhoun, Kristin M.; Fierro, Alexandre O.

2017-11-01

In this study, a lightning data assimilation (LDA) scheme was developed and implemented in the National Center for Atmospheric Research Weather Research and Forecasting-Real-Time Four-Dimensional Data Assimilation system. In this LDA method, graupel mixing ratio (qg) is retrieved from observed total lightning. To retrieve qg on model grid boxes, column-integrated graupel mass is first calculated using an observation-based linear formula between graupel mass and total lightning rate. Then the graupel mass is distributed vertically according to the empirical qg vertical profiles constructed from model simulations. Finally, a horizontal spread method is utilized to consider the existence of graupel in the adjacent regions of the lightning initiation locations. Based on the retrieved qg fields, latent heat is adjusted to account for the latent heat releases associated with the formation of the retrieved graupel and to promote convection at the observed lightning locations, which is conceptually similar to the method developed by Fierro et al. Three severe convection cases were studied to evaluate the LDA scheme for short-term (0-6 h) lightning and precipitation forecasts. The simulation results demonstrated that the LDA was effective in improving the short-term lightning and precipitation forecasts by improving the model simulation of the qg fields, updrafts, cold pool, and front locations. The improvements were most notable in the first 2 h, indicating a highly desired benefit of the LDA in lightning and convective precipitation nowcasting (0-2 h) applications.

Mathematical Modeling of Ultra-Superheated Steam Gasification

NASA Astrophysics Data System (ADS)

Xin, Fen

Pure steam gasification has been of interest in hydrogen production, but with the challenge of supplying heat for endothermic reactions. Traditional solutions included either combusting feedstocks at the price of decreasing carbon conversion ratio, or using costly heating apparatus. Therefore, a distributed gasifier with an Ultra-Superheated-Steam (USS) generator was invented, satisfying the heat requirement and avoiding carbon combustion in steam gasification. This project developed the first version of the Ultra-Superheated-Steam-Fluidization-Model (USSFM V1.0) for the USS gasifier. A stand-alone equilibrium combustion model was firstly developed to calculate the USS mixture, which was the input to the USSFM V1.0. Model development of the USSFM V1.0 included assumptions, governing equations, boundary conditions, supporting equations and iterative schemes of guessed values. There were three nested loops in the dense bed and one loop in the freeboard. The USSFM V1.0 included one main routine and twenty-four subroutines. The USSFM V1.0 was validated with experimental data from the Enercon USS gasifier. The calculated USS mixture had a trace of oxygen, validating the initial expectation of creating an oxygen-free environment in the gasifier. Simulations showed that the USS mixture could satisfy the gasification heat requirement without partial carbon combustion. The USSFM V1.0 had good predictions on the H2% in all tests, and on other variables at a level of the lower oxygen feed. Provided with higher oxygen feed, the USSFM V1.0 simulated hotter temperatures, higher CO% and lower CO2%. Errors were explained by assumptions of equilibrium combustion, adiabatic reactors, reaction kinetics, etc. By investigating specific modeling data, gas-particle convective heat transfers were found to be critical in energy balance equations of both emulsion gas and particles, while bubble size controlled both the mass and energy balance equations of bubble gas. Parametric study suggested a lower level of oxygen feed for higher content of hydrogen. However, too little oxygen would impede fluidization in the bed. The reasonability of iterative schemes and the stability of USSFM V1.0 were tested by the sensitivity analysis of two guessed values. Analytical Hierarchy Process analysis indicated that large-scale gasification is advantageous for hydrogen production but with impediments of high capital cost and CO2 emissions. This study manifested the USS gasifier offering the possibility of generating H2-rich and CO2-lean syngas in a much cheaper distributed way. Currently, the FORTRAN-based USSFM V1.0 had a good correlation with experimental data with a small oxygen feed. On the demand of wider applications, suggestions were proposed at last for the model improvement in future.

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

PubMed Central

Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

2013-01-01

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol−1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning. PMID:24320250

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects.

PubMed

Rocklin, Gabriel J; Mobley, David L; Dill, Ken A; Hünenberger, Philippe H

2013-11-14

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol(-1)) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol(-1)). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

NASA Astrophysics Data System (ADS)

Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

2013-11-01

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol-1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB calculations for a given system, its dependence on the box size being analytical. The latter scheme also provides insight into the physical origin of the finite-size effects. These two schemes also encompass a correction for discrete solvent effects that persists even in the limit of infinite box sizes. Application of either scheme essentially eliminates the size dependence of the corrected charging free energies (maximal deviation of 1.5 kJ mol-1). Because it is simple to apply, the analytical correction scheme offers a general solution to the problem of finite-size effects in free-energy calculations involving charged solutes, as encountered in calculations concerning, e.g., protein-ligand binding, biomolecular association, residue mutation, pKa and redox potential estimation, substrate transformation, solvation, and solvent-solvent partitioning.

Heating and flooding: A unified approach for rapid generation of free energy surfaces

NASA Astrophysics Data System (ADS)

Chen, Ming; Cuendet, Michel A.; Tuckerman, Mark E.

2012-07-01

We propose a general framework for the efficient sampling of conformational equilibria in complex systems and the generation of associated free energy hypersurfaces in terms of a set of collective variables. The method is a strategic synthesis of the adiabatic free energy dynamics approach, previously introduced by us and others, and existing schemes using Gaussian-based adaptive bias potentials to disfavor previously visited regions. In addition, we suggest sampling the thermodynamic force instead of the probability density to reconstruct the free energy hypersurface. All these elements are combined into a robust extended phase-space formalism that can be easily incorporated into existing molecular dynamics packages. The unified scheme is shown to outperform both metadynamics and adiabatic free energy dynamics in generating two-dimensional free energy surfaces for several example cases including the alanine dipeptide in the gas and aqueous phases and the met-enkephalin oligopeptide. In addition, the method can efficiently generate higher dimensional free energy landscapes, which we demonstrate by calculating a four-dimensional surface in the Ramachandran angles of the gas-phase alanine tripeptide.

DNS Study of the Ignition of n-Heptane Fuel Spray under HCCI Conditions

NASA Astrophysics Data System (ADS)

Wang, Yunliang; Rutland, Christopher J.

2004-11-01

Direct numerical simulations are carried out to investigate the mixing and auto-ignition processes of n-heptane fuel spray in a turbulent field using a skeletal chemistry mechanism with 44 species and 112 reactions. For the solution of the carrier gas fluid, we use the Eulerian method, while for the fuel spray, the Lagrangian method is used. We use an eighth-order finite difference scheme to calculate spacial derivatives and a fourth-order Runge-Kutta scheme for the time integration. The initial gas temperature is 926 K and the initial gas pressure is 30 atmospheres. The initial global equivalence ratio based on the fuel concentration is around 0.4. The initial droplet diameter is 60 macrons and the droplet temperature is 300 K. Evolutions of averaged temperature, species mass fraction, heat release and reaction rate are presented. Contours of temperature and species mass fractions are presented. The objective is to understand the mechanism of ignition under Homogeneous Charged Compression Ignition (HCCI) conditions, aiming at providing some useful information of HCCI combustion, which is one of the critical issues to be resolved.

Heat transfer in a fissioning uranium plasma reactor cavity

NASA Technical Reports Server (NTRS)

Kascak, A. F.

1973-01-01

Two schemes are investigated by which a fission-heated uranium plasma located in the central cavity of a test reactor could be insulated to keep its temperature above condensation in a neutron flux of 10 to the 15th power neutrons/(sq cm)(sec) or less. The first scheme was to use a mirrored cavity wall to reflect the thermal radiation back into the plasma. The second scheme was to seed the transpirational cavity wall coolant so as to make it opaque to thermal radiation, thus insulating the hot plasma from the cold wall. The analysis showed that a mirrored cavity wall must have a reflectivity of over 95 percent or that seeded argon must be used as the wall coolant to give an acceptable operating margin above fuel condensation conditions.

The assessment of nanofluid in a Von Karman flow with temperature relied viscosity

NASA Astrophysics Data System (ADS)

Tanveer, Anum; Salahuddin, T.; Khan, Mumtaz; Alshomrani, Ali Saleh; Malik, M. Y.

2018-06-01

This work endeavor to study the heat and mass transfer viscous nanofluid features in a Von Karman flow invoking the variable viscosity mechanism. Moreover, we have extended our study in view of heat generation and uniform suction effects. The flow triggering non-linear partial differential equations are inscribed in the non-dimensional form by manipulating suitable transformations. The resulting non-linear ordinary differential equations are solved numerically via implicit finite difference scheme in conjecture with the Newton's linearization scheme afterwards. The sought solutions are plotted graphically to present comparison between MATLAB routine bvp4c and implicit finite difference schemes. Impact of different parameters on the concentration/temperature/velocity profiles are highlighted. Further Nusselt number, skin friction and Sherwood number characteristics are discussed for better exposition.

Flux Renormalization in Constant Power Burnup Calculations

DOE PAGES

Isotalo, Aarno E.; Aalto Univ., Otaniemi; Davidson, Gregory G.; ...

2016-06-15

To more accurately represent the desired power in a constant power burnup calculation, the depletion steps of the calculation can be divided into substeps and the neutron flux renormalized on each substep to match the desired power. Here, this paper explores how such renormalization should be performed, how large a difference it makes, and whether using renormalization affects results regarding the relative performance of different neutronics–depletion coupling schemes. When used with older coupling schemes, renormalization can provide a considerable improvement in overall accuracy. With previously published higher order coupling schemes, which are more accurate to begin with, renormalization has amore » much smaller effect. Finally, while renormalization narrows the differences in the accuracies of different coupling schemes, their order of accuracy is not affected.« less

Retro Rocket Motor Self-Penetrating Scheme for Heat Shield Exhaust Ports

NASA Technical Reports Server (NTRS)

Marrese-Reading, Colleen; St.Vaughn, Josh; Zell, Peter; Hamm, Ken; Corliss, Jim; Gayle, Steve; Pain, Rob; Rooney, Dan; Ramos, Amadi; Lewis, Doug;

Sensitivity Equation Derivation for Transient Heat Transfer Problems

NASA Technical Reports Server (NTRS)

Hou, Gene; Chien, Ta-Cheng; Sheen, Jeenson

2004-01-01

The focus of the paper is on the derivation of sensitivity equations for transient heat transfer problems modeled by different discretization processes. Two examples will be used in this study to facilitate the discussion. The first example is a coupled, transient heat transfer problem that simulates the press molding process in fabrication of composite laminates. These state equations are discretized into standard h-version finite elements and solved by a multiple step, predictor-corrector scheme. The sensitivity analysis results based upon the direct and adjoint variable approaches will be presented. The second example is a nonlinear transient heat transfer problem solved by a p-version time-discontinuous Galerkin's Method. The resulting matrix equation of the state equation is simply in the form of Ax = b, representing a single step, time marching scheme. A direct differentiation approach will be used to compute the thermal sensitivities of a sample 2D problem.

[The design of heat dissipation of the field low temperature box for storage and transportation].

PubMed

Wei, Jiancang; Suin, Jianjun; Wu, Jian

2013-02-01

Because of the compact structure of the field low temperature box for storage and transportation, which is due to the same small space where the compressor, the condenser, the control circuit, the battery and the power supply device are all placed in, the design for heat dissipation and ventilation is of critical importance for the stability and reliability of the box. Several design schemes of the heat dissipation design of the box were simulated using the FLOEFD hot fluid analysis software in this study. Different distributions of the temperature field in every design scheme were constructed intimately in the present study. It is well concluded that according to the result of the simulation analysis, the optimal heat dissipation design is decent for the field low temperature box for storage and transportation, and the box can operate smoothly for a long time using the results of the design.

Finite Difference Schemes as Algebraic Correspondences between Layers

NASA Astrophysics Data System (ADS)

Malykh, Mikhail; Sevastianov, Leonid

2018-02-01

For some differential equations, especially for Riccati equation, new finite difference schemes are suggested. These schemes define protective correspondences between the layers. Calculation using these schemes can be extended to the area beyond movable singularities of exact solution without any error accumulation.

Investigation of Turbulence Parametrization Schemes with Reference to the Atmospheric Boundary Layer Over the Aegean Sea During Etesian Winds

NASA Astrophysics Data System (ADS)

Dandou, A.; Tombrou, M.; Kalogiros, J.; Bossioli, E.; Biskos, G.; Mihalopoulos, N.; Coe, H.

2017-08-01

The spatial structure of the marine atmospheric boundary layer (MABL) over the Aegean Sea is investigated using the Weather Research and Forecasting (WRF) mesoscale model. Two `first-order' non-local and five `1.5-order' local planetary boundary-layer (PBL) parametrization schemes are used. The predictions from the WRF model are evaluated against airborne observations obtained by the UK Facility for Airborne Atmospheric Measurements BAe-14 research aircraft during the Aegean-GAME field campaign. Statistical analysis shows good agreement between measurements and simulations especially at low altitude. Despite the differences between the predicted and measured wind speeds, they reach an agreement index of 0.76. The simulated wind-speed fields close to the surface differ substantially among the schemes (maximum values range from 13 to 18 m s^{-1} at 150-m height), but the differences become marginal at higher levels. In contrast, all schemes show similar spatial variation patterns in potential temperature fields. A warmer (1-2 K) and drier (2-3 g kg^{-1}) layer than is observed, is predicted by almost all schemes under stable conditions (eastern Aegean Sea), whereas a cooler (up to 2 K) and moister (1-2 g kg^{-1}) layer is simulated under near-neutral to nearly unstable conditions (western Aegean Sea). Almost all schemes reproduce the vertical structure of the PBL and the shallow MABL (up to 300 m) well, including the low-level jet in the eastern Aegean Sea, with non-local schemes being closer to observations. The simulated PBL depths diverge (up to 500 m) due to the different criteria applied by the schemes for their calculation. Under stable conditions, the observed MABL depth corresponds to the height above the sea surface where the simulated eddy viscosity reaches a minimum; under neutral to slightly unstable conditions this is close to the top of the simulated entrainment layer. The observed sensible heat fluxes vary from -40 to 25 W m^{-2}, while the simulated fluxes range from -40 to 40 W m^{-2}; however, all of the schemes' predictions are close to the observations under unstable conditions. Finally, all schemes overestimate the friction velocity, although the simulated range (from 0.2 to 0.5 m s^{-1}) is narrower than that observed (from 0.1 to 0.7 m s^{-1}).

An Investigation on the role of Planetary Boundary Layer Parameterization scheme on the performance of a hydrostatic atmospheric model over a Coastal Region

NASA Astrophysics Data System (ADS)

Anurose, J. T.; Subrahamanyam, Bala D.

2012-07-01

As part of the ocean/land-atmosphere interaction, more than half of the total kinetic energy is lost within the lowest part of atmosphere, often referred to as the planetary boundary layer (PBL). A comprehensive understanding of the energetics of this layer and turbulent processes responsible for dissipation of kinetic energy within the PBL require accurate estimation of sensible and latent heat flux and momentum flux. In numerical weather prediction (NWP) models, these quantities are estimated through different surface-layer and PBL parameterization schemes. This research article investigates different factors influencing the accuracy of a surface-layer parameterization scheme used in a hydrostatic high-resolution regional model (HRM) in the estimation of surface-layer turbulent fluxes of heat, moisture and momentum over the coastal regions of the Indian sub-continent. Results obtained from this sensitivity study of a parameterization scheme in HRM revealed the role of surface roughness length (z_{0}) in conjunction with the temperature difference between the underlying ground surface and atmosphere above (ΔT = T_{G} - T_{A}) in the estimated values of fluxes. For grid points over the land surface where z_{0} is treated as a constant throughout the model integration time, ΔT showed relative dominance in the estimation of sensible heat flux. In contrast to this, estimation of sensible and latent heat flux over ocean were found to be equally sensitive on the method adopted for assigning the values of z_{0} and also on the magnitudes of ΔT.

Qualification of APOLLO2 BWR calculation scheme on the BASALA mock-up

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vaglio-Gaudard, C.; Santamarina, A.; Sargeni, A.

2006-07-01

A new neutronic APOLLO2/MOC/SHEM/CEA2005 calculation scheme for BWR applications has been developed by the French 'Commissariat a l'Energie Atomique'. This scheme is based on the latest calculation methodology (accurate mutual and self-shielding formalism, MOC treatment of the transport equation) and the recent JEFF3.1 nuclear data library. This paper presents the experimental validation of this new calculation scheme on the BASALA BWR mock-up The BASALA programme is devoted to the measurements of the physical parameters of high moderation 100% MOX BWR cores, in hot and cold conditions. The experimental validation of the calculation scheme deals with core reactivity, fission rate maps,more » reactivity worth of void and absorbers (cruciform control blades and Gd pins), as well as temperature coefficient. Results of the analysis using APOLLO2/MOC/SHEM/CEA2005 show an overestimation of the core reactivity by 600 pcm for BASALA-Hot and 750 pcm for BASALA-Cold. Reactivity worth of gadolinium poison pins and hafnium or B{sub 4}C control blades are predicted by APOLLO2 calculation within 2% accuracy. Furthermore, the radial power map is well predicted for every core configuration, including Void configuration and Hf / B{sub 4}C configurations: fission rates in the central assembly are calculated within the {+-}2% experimental uncertainty for the reference cores. The C/E bias on the isothermal Moderator Temperature Coefficient, using the CEA2005 library based on JEFF3.1 file, amounts to -1.7{+-}03 pcm/ deg. C on the range 10 deg. C-80 deg. C. (authors)« less

Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schober, Christoph; Reuter, Karsten; Oberhofer, Harald, E-mail: harald.oberhofer@ch.tum.de

2016-02-07

We present a critical analysis of the popular fragment-orbital density-functional theory (FO-DFT) scheme for the calculation of electronic coupling values. We discuss the characteristics of different possible formulations or “flavors” of the scheme which differ by the number of electrons in the calculation of the fragments and the construction of the Hamiltonian. In addition to two previously described variants based on neutral fragments, we present a third version taking a different route to the approximate diabatic state by explicitly considering charged fragments. In applying these FO-DFT flavors to the two molecular test sets HAB7 (electron transfer) and HAB11 (hole transfer),more » we find that our new scheme gives improved electronic couplings for HAB7 (−6.2% decrease in mean relative signed error) and greatly improved electronic couplings for HAB11 (−15.3% decrease in mean relative signed error). A systematic investigation of the influence of exact exchange on the electronic coupling values shows that the use of hybrid functionals in FO-DFT calculations improves the electronic couplings, giving values close to or even better than more sophisticated constrained DFT calculations. Comparing the accuracy and computational cost of each variant, we devise simple rules to choose the best possible flavor depending on the task. For accuracy, our new scheme with charged-fragment calculations performs best, while numerically more efficient at reasonable accuracy is the variant with neutral fragments.« less

Single-Molecule Denaturation Mapping of Genomic DNA in Nanofluidic Channels

NASA Astrophysics Data System (ADS)

Reisner, Walter; Larsen, Niels; Kristensen, Anders; Tegenfeldt, Jonas O.; Flyvbjerg, Henrik

2009-03-01

We have developed a new DNA barcoding technique based on the partial denaturation of extended fluorescently labeled DNA molecules. We partially melt DNA extended in nanofluidic channels via a combination of local heating and added chemical denaturants. The melted molecules, imaged via a standard fluorescence videomicroscopy setup, exhibit a nonuniform fluorescence profile corresponding to a series of local dips and peaks in the intensity trace along the stretched molecule. We show that this barcode is consistent with the presence of locally melted regions and can be explained by calculations of sequence-dependent melting probability. We believe this melting mapping technology is the first optically based single molecule technique sensitive to genome wide sequence variation that does not require an additional enzymatic labeling or restriction scheme.

Finite-volume scheme for anisotropic diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Es, Bram van, E-mail: bramiozo@gmail.com; FOM Institute DIFFER, Dutch Institute for Fundamental Energy Research, The Netherlands"1; Koren, Barry

In this paper, we apply a special finite-volume scheme, limited to smooth temperature distributions and Cartesian grids, to test the importance of connectivity of the finite volumes. The area of application is nuclear fusion plasma with field line aligned temperature gradients and extreme anisotropy. We apply the scheme to the anisotropic heat-conduction equation, and compare its results with those of existing finite-volume schemes for anisotropic diffusion. Also, we introduce a general model adaptation of the steady diffusion equation for extremely anisotropic diffusion problems with closed field lines.

Sensitivity of Age-of-Air Calculations to the Choice of Advection Scheme

NASA Technical Reports Server (NTRS)

Eluszkiewicz, Janusz; Hemler, Richard S.; Mahlman, Jerry D.; Bruhwiler, Lori; Takacs, Lawrence L.

2000-01-01

The age of air has recently emerged as a diagnostic of atmospheric transport unaffected by chemical parameterizations, and the features in the age distributions computed in models have been interpreted in terms of the models' large-scale circulation field. This study shows, however, that in addition to the simulated large-scale circulation, three-dimensional age calculations can also be affected by the choice of advection scheme employed in solving the tracer continuity equation, Specifically, using the 3.0deg latitude X 3.6deg longitude and 40 vertical level version of the Geophysical Fluid Dynamics Laboratory SKYHI GCM and six online transport schemes ranging from Eulerian through semi-Lagrangian to fully Lagrangian, it will be demonstrated that the oldest ages are obtained using the nondiffusive centered-difference schemes while the youngest ages are computed with a semi-Lagrangian transport (SLT) scheme. The centered- difference schemes are capable of producing ages older than 10 years in the mesosphere, thus eliminating the "young bias" found in previous age-of-air calculations. At this stage, only limited intuitive explanations can be advanced for this sensitivity of age-of-air calculations to the choice of advection scheme, In particular, age distributions computed online with the National Center for Atmospheric Research Community Climate Model (MACCM3) using different varieties of the SLT scheme are substantially older than the SKYHI SLT distribution. The different varieties, including a noninterpolating-in-the-vertical version (which is essentially centered-difference in the vertical), also produce a narrower range of age distributions than the suite of advection schemes employed in the SKYHI model. While additional MACCM3 experiments with a wider range of schemes would be necessary to provide more definitive insights, the older and less variable MACCM3 age distributions can plausibly be interpreted as being due to the semi-implicit semi-Lagrangian dynamics employed in the MACCM3. This type of dynamical core (employed with a 60-min time step) is likely to reduce SLT's interpolation errors that are compounded by the short-term variability characteristic of the explicit centered-difference dynamics employed in the SKYHI model (time step of 3 min). In the extreme case of a very slowly varying circulation, the choice of advection scheme has no effect on two-dimensional (latitude-height) age-of-air calculations, owing to the smooth nature of the transport circulation in 2D models. These results suggest that nondiffusive schemes may be the preferred choice for multiyear simulations of tracers not overly sensitive to the requirement of monotonicity (this category includes many greenhouse gases). At the same time, age-of-air calculations offer a simple quantitative diagnostic of a scheme's long-term diffusive properties and may help in the evaluation of dynamical cores in multiyear integrations. On the other hand, the sensitivity of the computed ages to the model numerics calls for caution in using age of air as a diagnostic of a GCM's large-scale circulation field.

Accuracy Improvement in Magnetic Field Modeling for an Axisymmetric Electromagnet

NASA Technical Reports Server (NTRS)

Ilin, Andrew V.; Chang-Diaz, Franklin R.; Gurieva, Yana L.; Il,in, Valery P.

2000-01-01

This paper examines the accuracy and calculation speed for the magnetic field computation in an axisymmetric electromagnet. Different numerical techniques, based on an adaptive nonuniform grid, high order finite difference approximations, and semi-analitical calculation of boundary conditions are considered. These techniques are being applied to the modeling of the Variable Specific Impulse Magnetoplasma Rocket. For high-accuracy calculations, a fourth-order scheme offers dramatic advantages over a second order scheme. For complex physical configurations of interest in plasma propulsion, a second-order scheme with nonuniform mesh gives the best results. Also, the relative advantages of various methods are described when the speed of computation is an important consideration.

Hydrodynamic model of temperature change in open ionic channels.

PubMed Central

Chen, D P; Eisenberg, R S; Jerome, J W; Shu, C W

1995-01-01

Most theories of open ionic channels ignore heat generated by current flow, but that heat is known to be significant when analogous currents flow in semiconductors, so a generalization of the Poisson-Nernst-Planck theory of channels, called the hydrodynamic model, is needed. The hydrodynamic theory is a combination of the Poisson and Euler field equations of electrostatics and fluid dynamics, conservation laws that describe diffusive and convective flow of mass, heat, and charge (i.e., current), and their coupling. That is to say, it is a kinetic theory of solute and solvent flow, allowing heat and current flow as well, taking into account density changes, temperature changes, and electrical potential gradients. We integrate the equations with an essentially nonoscillatory shock-capturing numerical scheme previously shown to be stable and accurate. Our calculations show that 1) a significant amount of electrical energy is exchanged with the permeating ions; 2) the local temperature of the ions rises some tens of degrees, and this temperature rise significantly alters for ionic flux in a channel 25 A long, such as gramicidin-A; and 3) a critical parameter, called the saturation velocity, determines whether ionic motion is overdamped (Poisson-Nernst-Planck theory), is an intermediate regime (called the adiabatic approximation in semiconductor theory), or is altogether unrestricted (requiring the full hydrodynamic model). It seems that significant temperature changes are likely to accompany current flow in the open ionic channel. PMID:8599638

Development of a Standalone Thermal Wellbore Simulator

NASA Astrophysics Data System (ADS)

Xiong, Wanqiang

With continuous developments of various different sophisticated wells in the petroleum industry, wellbore modeling and simulation have increasingly received more attention. Especially in unconventional oil and gas recovery processes, there is a growing demand for more accurate wellbore modeling. Despite notable advancements made in wellbore modeling, none of the existing wellbore simulators has been as successful as reservoir simulators such as Eclipse and CMG's and further research works on handling issues such as accurate heat loss modeling and multi-tubing wellbore modeling are really necessary. A series of mathematical equations including main governing equations, auxiliary equations, PVT equations, thermodynamic equations, drift-flux model equations, and wellbore heat loss calculation equations are collected and screened from publications. Based on these modeling equations, workflows for wellbore simulation and software development are proposed. Research works are conducted in key steps for developing a wellbore simulator: discretization, a grid system, a solution method, a linear equation solver, and computer language. A standalone thermal wellbore simulator is developed by using standard C++ language. This wellbore simulator can simulate single-phase injection and production, two-phase steam injection and two-phase oil and water production. By implementing a multi-part scheme which divides a wellbore with sophisticated configuration into several relative simple simulation running units, this simulator can handle different complex wellbores: wellbore with multistage casings, horizontal wells, multilateral wells and double tubing. In pursuance of improved accuracy of heat loss calculations to surrounding formations, a semi-numerical method is proposed and a series of FLUENT simulations have been conducted in this study. This semi-numerical method involves extending the 2D formation heat transfer simulation to include a casing wall and cement and adopting new correlations regressed by this study. Meanwhile, a correlation for handling heat transfer in double-tubing annulus is regressed. This work initiates the research on heat transfer in a double-tubing wellbore system. A series of validation and test works are performed in hot water injection, steam injection, real filed data, a horizontal well, a double-tubing well and comparison with the Ramey method. The program in this study also performs well in matching with real measured field data, simulation in horizontal wells and double-tubing wells.

Decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio.

PubMed

Hu, Kainan; Zhang, Hongwu; Geng, Shaojuan

2016-10-01

A decoupled scheme based on the Hermite expansion to construct lattice Boltzmann models for the compressible Navier-Stokes equations with arbitrary specific heat ratio is proposed. The local equilibrium distribution function including the rotational velocity of particle is decoupled into two parts, i.e., the local equilibrium distribution function of the translational velocity of particle and that of the rotational velocity of particle. From these two local equilibrium functions, two lattice Boltzmann models are derived via the Hermite expansion, namely one is in relation to the translational velocity and the other is connected with the rotational velocity. Accordingly, the distribution function is also decoupled. After this, the evolution equation is decoupled into the evolution equation of the translational velocity and that of the rotational velocity. The two evolution equations evolve separately. The lattice Boltzmann models used in the scheme proposed by this work are constructed via the Hermite expansion, so it is easy to construct new schemes of higher-order accuracy. To validate the proposed scheme, a one-dimensional shock tube simulation is performed. The numerical results agree with the analytical solutions very well.

Accelerated iteration schemes for transonic flow calculations using fast poisson solvers. [aerodynamics

NASA Technical Reports Server (NTRS)

Jameson, A.

1975-01-01

The use of a fast elliptic solver in combination with relaxation is presented as an effective way to accelerate the convergence of transonic flow calculations, particularly when a marching scheme can be used to treat the supersonic zone in the relaxation process.

Design of algorithms for a dispersive hyperbolic problem

NASA Technical Reports Server (NTRS)

Roe, Philip L.; Arora, Mohit

1991-01-01

In order to develop numerical schemes for stiff problems, a model of relaxing heat flow is studied. To isolate those errors unavoidably associated with discretization, a method of characteristics is developed, containing three free parameters depending on the stiffness ratio. It is shown that such 'decoupled' schemes do not take into account the interaction between the wave families, and hence result in incorrect wavespeeds. Schemes can differ by up to two orders of magnitude in their rms errors, even while maintaining second-order accuracy. 'Coupled' schemes which account for the interactions are developed to obtain two additional free parameters. Numerical results are given for several decoupled and coupled schemes.

Analysis of Thermal Design of Heating Units with Meteorological Climate Peculiarities

NASA Astrophysics Data System (ADS)

Seminenko, A. S.; Elistratova, Y. V.; Pererva, M. I.; Moiseev, M. V.

2018-03-01

This article is devoted to the analysis of thermal design of heating units, one of the compulsory calculations of heating systems, which ensures their stable and efficient operation. The article analyses the option of a single-pipe heating system with shifted end-capping areas and the overhead supply main; the difference is shown in the calculation results between heat balance equation of the heating unit and calculation of the actual heat flux (heat transfer coefficient) taking into account deviation from the standardized (technical passport) operating conditions. The calculation of the thermal conditions of residential premises is given, the deviation of the internal air temperature is shown taking into account the discrepancy between the calculation results for thermal energy.

Phase 1 engineering and technical data report for the thermal control extravehicular life support system

NASA Technical Reports Server (NTRS)

1975-01-01

A shuttle EVLSS Thermal Control System (TCS) is defined. Thirteen heat rejection subsystems, thirteen water management subsystems, nine humidity control subsystems, three pressure control schemes and five temperature control schemes are evaluated. Sixteen integrated TCS systems are studied, and an optimum system is selected based on quantitative weighting of weight, volume, cost, complexity and other factors. The selected sybsystem contains a sublimator for heat rejection, a bubble expansion tank for water management, and a slurper and rotary separator for humidity control. Design of the selected subsystem prototype hardware is presented.

Substituent and ring effects on enthalpies of formation: 2-methyl- and 2-ethylbenzimidazoles versus benzene- and imidazole-derivatives

NASA Astrophysics Data System (ADS)

Jiménez, Pilar; Roux, María Victoria; Dávalos, Juan Z.; Temprado, Manuel; Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria Das Dores M. C.; Amaral, Luísa M. P. F.; Cabildo, Pilar; Claramunt, Rosa M.; Mó, Otilia; Yáñez, Manuel; Elguero, José

The enthalpies of combustion, heat capacities, enthalpies of sublimation and enthalpies of formation of 2-methylbenzimidazole (2MeBIM) and 2-ethylbenzimidazole (2EtBIM) are reported and the results compared with those of benzimidazole itself (BIM). Theoretical estimates of the enthalpies of formation were obtained through the use of atom equivalent schemes. The necessary energies were obtained in single-point calculations at the B3LYP/6-311+G(d,p) on B3LYP/6-31G* optimized geometries. The comparison of experimental and calculated values of benzenes, imidazoles and benzimidazoles bearing H (unsubstituted), methyl and ethyl groups shows remarkable homogeneity. The energetic group contribution transferability is not followed, but either using it or adding an empirical interaction term, it is possible to generate an enormous collection of reasonably accurate data for different substituted heterocycles (pyrazole-derivatives, pyridine-derivatives, etc.) from the large amount of values available for substituted benzenes and those of the parent (pyrazole, pyridine) heterocycles.

Solutions for Reacting and Nonreacting Viscous Shock Layers with Multicomponent Diffusion and Mass Injection. Ph.D. Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Moss, J. N.

1971-01-01

Numerical solutions are presented for the viscous shocklayer equations where the chemistry is treated as being either frozen, equilibrium, or nonequilibrium. Also the effects of the diffusion model, surface catalyticity, and mass injection on surface transport and flow parameters are considered. The equilibrium calculations for air species using multicomponent: diffusion provide solutions previously unavailable. The viscous shock-layer equations are solved by using an implicit finite-difference scheme. The flow is treated as a mixture of inert and thermally perfect species. Also the flow is assumed to be in vibrational equilibrium. All calculations are for a 45 deg hyperboloid. The flight conditions are those for various altitudes and velocities in the earth's atmosphere. Data are presented showing the effects of the chemical models; diffusion models; surface catalyticity; and mass injection of air, water, and ablation products on heat transfer; skin friction; shock stand-off distance; wall pressure distribution; and tangential velocity, temperature, and species profiles.

A search for space energy alternatives

NASA Technical Reports Server (NTRS)

Gilbreath, W. P.; Billman, K. W.

1978-01-01

This paper takes a look at a number of schemes for converting radiant energy in space to useful energy for man. These schemes are possible alternatives to the currently most studied solar power satellite concept. Possible primary collection and conversion devices discussed include the space particle flux devices, solar windmills, photovoltaic devices, photochemical cells, photoemissive converters, heat engines, dielectric energy conversion, electrostatic generators, plasma solar collectors, and thermionic schemes. Transmission devices reviewed include lasers and masers.

Theoretical calculation of heat of formation and heat of combustion for several flammable gases.

PubMed

Kondo, Shigeo; Takahashi, Akifumi; Tokuhashi, Kazuaki

2002-09-02

Heats of formation have been calculated by the Gaussian-2 (G2) and/or G2MP2 method for a number of flammable gases. As a result, it has been found that the calculated heat of formation for compounds containing, such atoms as fluorine and chlorine tends to deviate from the observed values more than calculations for other molecules do. A simple atom additivity correction (AAC) has been found effective to improve the quality of the heat of formation calculation from the G2 and G2MP2 theories for these molecules. The values of heat of formation thus obtained have been used to calculate the heat of combustion and related constants for evaluating the combustion hazard of flammable gases.

Open-ended recursive calculation of single residues of response functions for perturbation-dependent basis sets.

PubMed

Friese, Daniel H; Ringholm, Magnus; Gao, Bin; Ruud, Kenneth

2015-10-13

We present theory, implementation, and applications of a recursive scheme for the calculation of single residues of response functions that can treat perturbations that affect the basis set. This scheme enables the calculation of nonlinear light absorption properties to arbitrary order for other perturbations than an electric field. We apply this scheme for the first treatment of two-photon circular dichroism (TPCD) using London orbitals at the Hartree-Fock level of theory. In general, TPCD calculations suffer from the problem of origin dependence, which has so far been solved by using the velocity gauge for the electric dipole operator. This work now enables comparison of results from London orbital and velocity gauge based TPCD calculations. We find that the results from the two approaches both exhibit strong basis set dependence but that they are very similar with respect to their basis set convergence.

γ5 in the four-dimensional helicity scheme

NASA Astrophysics Data System (ADS)

Gnendiger, C.; Signer, A.

2018-05-01

We investigate the regularization-scheme dependent treatment of γ5 in the framework of dimensional regularization, mainly focusing on the four-dimensional helicity scheme (fdh). Evaluating distinctive examples, we find that for one-loop calculations, the recently proposed four-dimensional formulation (fdf) of the fdh scheme constitutes a viable and efficient alternative compared to more traditional approaches. In addition, we extend the considerations to the two-loop level and compute the pseudoscalar form factors of quarks and gluons in fdh. We provide the necessary operator renormalization and discuss at a practical level how the complexity of intermediate calculational steps can be reduced in an efficient way.

Assessing DRG cost accounting with respect to resource allocation and tariff calculation: the case of Germany

PubMed Central

2012-01-01

The purpose of this paper is to analyze the German diagnosis related groups (G-DRG) cost accounting scheme by assessing its resource allocation at hospital level and its tariff calculation at national level. First, the paper reviews and assesses the three steps in the G-DRG resource allocation scheme at hospital level: (1) the groundwork; (2) cost-center accounting; and (3) patient-level costing. Second, the paper reviews and assesses the three steps in G-DRG national tariff calculation: (1) plausibility checks; (2) inlier calculation; and (3) the “one hospital” approach. The assessment is based on the two main goals of G-DRG introduction: improving transparency and efficiency. A further empirical assessment attests high costing quality. The G-DRG cost accounting scheme shows high system quality in resource allocation at hospital level, with limitations concerning a managerially relevant full cost approach and limitations in terms of advanced activity-based costing at patient-level. However, the scheme has serious flaws in national tariff calculation: inlier calculation is normative, and the “one hospital” model causes cost bias, adjustment and representativeness issues. The G-DRG system was designed for reimbursement calculation, but developed to a standard with strategic management implications, generalized by the idea of adapting a hospital’s cost structures to DRG revenues. This combination causes problems in actual hospital financing, although resource allocation is advanced at hospital level. PMID:22935314

Assessing DRG cost accounting with respect to resource allocation and tariff calculation: the case of Germany.

PubMed

Vogl, Matthias

2012-08-30

The purpose of this paper is to analyze the German diagnosis related groups (G-DRG) cost accounting scheme by assessing its resource allocation at hospital level and its tariff calculation at national level. First, the paper reviews and assesses the three steps in the G-DRG resource allocation scheme at hospital level: (1) the groundwork; (2) cost-center accounting; and (3) patient-level costing. Second, the paper reviews and assesses the three steps in G-DRG national tariff calculation: (1) plausibility checks; (2) inlier calculation; and (3) the "one hospital" approach. The assessment is based on the two main goals of G-DRG introduction: improving transparency and efficiency. A further empirical assessment attests high costing quality. The G-DRG cost accounting scheme shows high system quality in resource allocation at hospital level, with limitations concerning a managerially relevant full cost approach and limitations in terms of advanced activity-based costing at patient-level. However, the scheme has serious flaws in national tariff calculation: inlier calculation is normative, and the "one hospital" model causes cost bias, adjustment and representativeness issues. The G-DRG system was designed for reimbursement calculation, but developed to a standard with strategic management implications, generalized by the idea of adapting a hospital's cost structures to DRG revenues. This combination causes problems in actual hospital financing, although resource allocation is advanced at hospital level.

Free energy calculations, enhanced by a Gaussian ansatz, for the "chemical work" distribution.

PubMed

Boulougouris, Georgios C

2014-05-15

The evaluation of the free energy is essential in molecular simulation because it is intimately related with the existence of multiphase equilibrium. Recently, it was demonstrated that it is possible to evaluate the Helmholtz free energy using a single statistical ensemble along an entire isotherm by accounting for the "chemical work" of transforming each molecule, from an interacting one, to an ideal gas. In this work, we show that it is possible to perform such a free energy perturbation over a liquid vapor phase transition. Furthermore, we investigate the link between a general free energy perturbation scheme and the novel nonequilibrium theories of Crook's and Jarzinsky. We find that for finite systems away from the thermodynamic limit the second law of thermodynamics will always be an inequality for isothermal free energy perturbations, resulting always to a dissipated work that may tend to zero only in the thermodynamic limit. The work, the heat, and the entropy produced during a thermodynamic free energy perturbation can be viewed in the context of the Crooks and Jarzinsky formalism, revealing that for a given value of the ensemble average of the "irreversible" work, the minimum entropy production corresponded to a Gaussian distribution for the histogram of the work. We propose the evaluation of the free energy difference in any free energy perturbation based scheme on the average irreversible "chemical work" minus the dissipated work that can be calculated from the variance of the distribution of the logarithm of the work histogram, within the Gaussian approximation. As a consequence, using the Gaussian ansatz for the distribution of the "chemical work," accurate estimates for the chemical potential and the free energy of the system can be performed using much shorter simulations and avoiding the necessity of sampling the computational costly tails of the "chemical work." For a more general free energy perturbation scheme that the Gaussian ansatz may not be valid, the free energy calculation can be expressed in terms of the moment generating function of the "chemical work" distribution. Copyright © 2014 Wiley Periodicals, Inc.

Prospects for development of heat supply systems in high-rise districts

NASA Astrophysics Data System (ADS)

Zhila, Viktor; Solovyeva, Elena

2018-03-01

The article analyzes the main advantages and disadvantages of centralized and decentralized heat supply systems in high-rise districts. The main schemes of centralized heat supply systems are considered. They include centralized heat supply from boiler houses, centralized heat supply from autonomous heat sources, heat supply from roof boiler houses and door-to-door heating supply. For each of these variant, the gas distribution systems are considered and analyzed. These systems vary depending on the heat source location. For each of these systems, technical and economic indicators are taken into account, the analysis of which allows choosing the best option for districts where high-rise buildings predominate.

Sixth- and eighth-order Hermite integrator for N-body simulations

NASA Astrophysics Data System (ADS)

Nitadori, Keigo; Makino, Junichiro

2008-10-01

We present sixth- and eighth-order Hermite integrators for astrophysical N-body simulations, which use the derivatives of accelerations up to second-order ( snap) and third-order ( crackle). These schemes do not require previous values for the corrector, and require only one previous value to construct the predictor. Thus, they are fairly easy to implement. The additional cost of the calculation of the higher-order derivatives is not very high. Even for the eighth-order scheme, the number of floating-point operations for force calculation is only about two times larger than that for traditional fourth-order Hermite scheme. The sixth-order scheme is better than the traditional fourth-order scheme for most cases. When the required accuracy is very high, the eighth-order one is the best. These high-order schemes have several practical advantages. For example, they allow a larger number of particles to be integrated in parallel than the fourth-order scheme does, resulting in higher execution efficiency in both general-purpose parallel computers and GRAPE systems.

Mathematical simulation of the thermal diffusion in dentine irradiated with Nd:YAG laser using finite difference method

NASA Astrophysics Data System (ADS)

Moriyama, Eduardo H.; Zangaro, Renato A.; Lobo, Paulo D. d. C.; Villaverde, Antonio G. J. B.; Watanabe-Sei, Ii; Pacheco, Marcos T. T.; Otsuka, Daniel K.

2002-06-01

Thermal damage in dental pulp during Nd:YAG laser irradiation have been studied by several researchers; but due to dentin inhomogeneous structure, laser interaction with dentin in the hypersensitivity treatment are not fully understood. In this work, heat distribution profile on human dentine samples irradiated with Nd:YAG laser was simulated at surface and subjacent layers. Calculations were carried out using the Crank-Nicolson's finite difference method. Sixteen dentin samples with 1,5 mm of thickness were evenly distributed into four groups and irradiated with Nd:YAG laser pulses, according to the following scheme: (I) 1 pulse of 900 mJ, (II) 2 pulses of 450 mJ, (III) 3 pulses of 300 mJ, (IV) 6 pulses of 150 mJ; corresponding to a total laser energy of 900 mJ. The pulse interval was 300ms, the pulse duration of 900 ms and irradiated surface area of 0,005 mm2. Laser induced morphological changes in dentin were observed for all the irradiated samples. The heat distribution throughout the dentin layer, from the external dentin surface to the pulpal chamber wall, was calculated for each case, in order to obtain further information about the pulsed Nd:YAG laser-oral hard tissue interaction. The simulation showed significant differences in the final temperature at the pulpal chamber, depending on the exposition time and the energy contained in the laser pulse.

Biothermal modeling of transurethral ultrasound applicators for MR-guided prostate thermal therapy (Invited Paper)

NASA Astrophysics Data System (ADS)

Ross, Anthony B.; Diederich, Chris J.; Nau, William H.; Tyreus, Per D.; Gill, Harcharan; Bouley, Donna; Butts, R. K.; Rieke, Viola; Daniel, Bruce; Sommer, Graham

2005-04-01

Thermal ablation is a minimally-invasive treatment option for benign prostatic hyperplasia (BPH) and localized prostate cancer. Accurate spatial control of thermal dose delivery is paramount to improving thermal therapy efficacy and avoiding post-treatment complications. We have recently developed three types of transurethral ultrasound applicators, each with different degrees of heating selectivity. These applicators have been evaluated in vivo in coordination with magnetic resonance temperature imaging, and demonstrated to accurately ablate specific regions of the canine prostate. A finite difference biothermal model of the three types of transurethral ultrasound applicators (sectored tubular, planar, and curvilinear transducer sections) was developed and used to further study the performance and heating capabilities of each these devices. The biothermal model is based on the Pennes bioheat equation. The acoustic power deposition pattern corresponding to each applicator type was calculated using the rectangular radiator approximation to the Raleigh Sommerfield diffraction integral. In this study, temperature and thermal dose profiles were calculated for different treatment schemes and target volumes, including single shot and angular scanning procedures. This study also demonstrated the ability of the applicators to conform the cytotoxic thermal dose distribution to a predefined target area. Simulated thermal profiles corresponded well with MR temperature images from previous in vivo experiments. Biothermal simulations presented in this study reinforce the potential of improved efficacy of transurethral ultrasound thermal therapy of prostatic disease.

Image processing via level set curvature flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Malladi, R.; Sethian, J.A.

We present a controlled image smoothing and enhancement method based on a curvature flow interpretation of the geometric heat equation. Compared to existing techniques, the model has several distinct advantages. (i) It contains just one enhancement parameter. (ii) The scheme naturally inherits a stopping criterion from the image; continued application of the scheme produces no further change. (iii) The method is one of the fastest possible schemes based on a curvature-controlled approach. 15 ref., 6 figs.

Sensitivity of the simulation of tropical cyclone size to microphysics schemes

NASA Astrophysics Data System (ADS)

Chan, Kelvin T. F.; Chan, Johnny C. L.

2016-09-01

The sensitivity of the simulation of tropical cyclone (TC) size to microphysics schemes is studied using the Advanced Hurricane Weather Research and Forecasting Model (WRF). Six TCs during the 2013 western North Pacific typhoon season and three mainstream microphysics schemes-Ferrier (FER), WRF Single-Moment 5-class (WSM5) and WRF Single-Moment 6-class (WSM6)-are investigated. The results consistently show that the simulated TC track is not sensitive to the choice of microphysics scheme in the early simulation, especially in the open ocean. However, the sensitivity is much greater for TC intensity and inner-core size. The TC intensity and size simulated using the WSM5 and WSM6 schemes are respectively higher and larger than those using the FER scheme in general, which likely results from more diabatic heating being generated outside the eyewall in rainbands. More diabatic heating in rainbands gives higher inflow in the lower troposphere and higher outflow in the upper troposphere, with higher upward motion outside the eyewall. The lower-tropospheric inflow would transport absolute angular momentum inward to spin up tangential wind predominantly near the eyewall, leading to the increment in TC intensity and size (the inner-core size, especially). In addition, the inclusion of graupel microphysics processes (as in WSM6) may not have a significant impact on the simulation of TC track, intensity and size.

Parametrization of Combined Quantum Mechanical and Molecular Mechanical Methods: Bond-Tuned Link Atoms.

PubMed

Wu, Xin-Ping; Gagliardi, Laura; Truhlar, Donald G

2018-05-30

Combined quantum mechanical and molecular mechanical (QM/MM) methods are the most powerful available methods for high-level treatments of subsystems of very large systems. The treatment of the QM-MM boundary strongly affects the accuracy of QM/MM calculations. For QM/MM calculations having covalent bonds cut by the QM-MM boundary, it has been proposed previously to use a scheme with system-specific tuned fluorine link atoms. Here, we propose a broadly parametrized scheme where the parameters of the tuned F link atoms depend only on the type of bond being cut. In the proposed new scheme, the F link atom is tuned for systems with a certain type of cut bond at the QM-MM boundary instead of for a specific target system, and the resulting link atoms are call bond-tuned link atoms. In principle, the bond-tuned link atoms can be as convenient as the popular H link atoms, and they are especially well adapted for high-throughput and accurate QM/MM calculations. Here, we present the parameters for several kinds of cut bonds along with a set of validation calculations that confirm that the proposed bond-tuned link-atom scheme can be as accurate as the system-specific tuned F link-atom scheme.

Methods to Calculate the Heat Index as an Exposure Metric in Environmental Health Research

PubMed Central

Bell, Michelle L.; Peng, Roger D.

2013-01-01

Background: Environmental health research employs a variety of metrics to measure heat exposure, both to directly study the health effects of outdoor temperature and to control for temperature in studies of other environmental exposures, including air pollution. To measure heat exposure, environmental health studies often use heat index, which incorporates both air temperature and moisture. However, the method of calculating heat index varies across environmental studies, which could mean that studies using different algorithms to calculate heat index may not be comparable. Objective and Methods: We investigated 21 separate heat index algorithms found in the literature to determine a) whether different algorithms generate heat index values that are consistent with the theoretical concepts of apparent temperature and b) whether different algorithms generate similar heat index values. Results: Although environmental studies differ in how they calculate heat index values, most studies’ heat index algorithms generate values consistent with apparent temperature. Additionally, most different algorithms generate closely correlated heat index values. However, a few algorithms are potentially problematic, especially in certain weather conditions (e.g., very low relative humidity, cold weather). To aid environmental health researchers, we have created open-source software in R to calculate the heat index using the U.S. National Weather Service’s algorithm. Conclusion: We identified 21 separate heat index algorithms used in environmental research. Our analysis demonstrated that methods to calculate heat index are inconsistent across studies. Careful choice of a heat index algorithm can help ensure reproducible and consistent environmental health research. Citation: Anderson GB, Bell ML, Peng RD. 2013. Methods to calculate the heat index as an exposure metric in environmental health research. Environ Health Perspect 121:1111–1119; http://dx.doi.org/10.1289/ehp.1206273 PMID:23934704

Fast optical cooling of nanomechanical cantilever with the dynamical Zeeman effect.

PubMed

Zhang, Jian-Qi; Zhang, Shuo; Zou, Jin-Hua; Chen, Liang; Yang, Wen; Li, Yong; Feng, Mang

2013-12-02

We propose an efficient optical electromagnetically induced transparency (EIT) cooling scheme for a cantilever with a nitrogen-vacancy center attached in a non-uniform magnetic field using dynamical Zeeman effect. In our scheme, the Zeeman effect combined with the quantum interference effect enhances the desired cooling transition and suppresses the undesired heating transitions. As a result, the cantilever can be cooled down to nearly the vibrational ground state under realistic experimental conditions within a short time. This efficient optical EIT cooling scheme can be reduced to the typical EIT cooling scheme under special conditions.

Comparison of cell centered and cell vertex scheme in the calculation of high speed compressible flows

NASA Astrophysics Data System (ADS)

Rahman, Syazila; Yusoff, Mohd. Zamri; Hasini, Hasril

2012-06-01

This paper describes the comparison between the cell centered scheme and cell vertex scheme in the calculation of high speed compressible flow properties. The calculation is carried out using Computational Fluid Dynamic (CFD) in which the mass, momentum and energy equations are solved simultaneously over the flow domain. The geometry under investigation consists of a Binnie and Green convergent-divergent nozzle and structured mesh scheme is implemented throughout the flow domain. The finite volume CFD solver employs second-order accurate central differencing scheme for spatial discretization. In addition, the second-order accurate cell-vertex finite volume spatial discretization is also introduced in this case for comparison. The multi-stage Runge-Kutta time integration is implemented for solving a set of non-linear governing equations with variables stored at the vertices. Artificial dissipations used second and fourth order terms with pressure switch to detect changes in pressure gradient. This is important to control the solution stability and capture shock discontinuity. The result is compared with experimental measurement and good agreement is obtained for both cases.

Simulation numerique de l'effet du reflecteur radial sur les cellules rep en utilisant les codes DRAGON et DONJON

NASA Astrophysics Data System (ADS)

Bejaoui, Najoua

The pressurized water nuclear reactors (PWRs) is the largest fleet of nuclear reactors in operation around the world. Although these reactors have been studied extensively by designers and operators using efficient numerical methods, there are still some calculation weaknesses, given the geometric complexity of the core, still unresolved such as the analysis of the neutron flux's behavior at the core-reflector interface. The standard calculation scheme is a two steps process. In the first step, a detailed calculation at the assembly level with reflective boundary conditions, provides homogenized cross-sections for the assemblies, condensed to a reduced number of groups; this step is called the lattice calculation. The second step uses homogenized properties in each assemblies to calculate reactor properties at the core level. This step is called the full-core calculation or whole-core calculation. This decoupling of the two calculation steps is the origin of methodological bias particularly at the interface core reflector: the periodicity hypothesis used to calculate cross section librairies becomes less pertinent for assemblies that are adjacent to the reflector generally represented by these two models: thus the introduction of equivalent reflector or albedo matrices. The reflector helps to slowdown neutrons leaving the reactor and returning them to the core. This effect leads to two fission peaks in fuel assemblies localised at the core/reflector interface, the fission rate increasing due to the greater proportion of reentrant neutrons. This change in the neutron spectrum arises deep inside the fuel located on the outskirts of the core. To remedy this we simulated a peripheral assembly reflected with TMI-PWR reflector and developed an advanced calculation scheme that takes into account the environment of the peripheral assemblies and generate equivalent neutronic properties for the reflector. This scheme is tested on a core without control mechanisms and charged with fresh fuel. The results of this study showed that explicit representation of reflector and calculation of peripheral assembly with our advanced scheme allow corrections to the energy spectrum at the core interface and increase the peripheral power by up to 12% compared with that of the reference scheme.

Communication: Spin densities within a unitary group based spin-adapted open-shell coupled-cluster theory: Analytic evaluation of isotropic hyperfine-coupling constants for the combinatoric open-shell coupled-cluster scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Datta, Dipayan, E-mail: datta.dipayan@gmail.com; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

We report analytical calculations of isotropic hyperfine-coupling constants in radicals using a spin-adapted open-shell coupled-cluster theory, namely, the unitary group based combinatoric open-shell coupled-cluster (COSCC) approach within the singles and doubles approximation. A scheme for the evaluation of the one-particle spin-density matrix required in these calculations is outlined within the spin-free formulation of the COSCC approach. In this scheme, the one-particle spin-density matrix for an open-shell state with spin S and M{sub S} = + S is expressed in terms of the one- and two-particle spin-free (charge) density matrices obtained from the Lagrangian formulation that is used for calculating themore » analytic first derivatives of the energy. Benchmark calculations are presented for NO, NCO, CH{sub 2}CN, and two conjugated π-radicals, viz., allyl and 1-pyrrolyl in order to demonstrate the performance of the proposed scheme.« less

On the application of Chimera/unstructured hybrid grids for conjugate heat transfer

NASA Technical Reports Server (NTRS)

Kao, Kai-Hsiung; Liou, Meng-Sing

1995-01-01

A hybrid grid system that combines the Chimera overset grid scheme and an unstructured grid method is developed to study fluid flow and heat transfer problems. With the proposed method, the solid structural region, in which only the heat conduction is considered, can be easily represented using an unstructured grid method. As for the fluid flow region external to the solid material, the Chimera overset grid scheme has been shown to be very flexible and efficient in resolving complex configurations. The numerical analyses require the flow field solution and material thermal response to be obtained simultaneously. A continuous transfer of temperature and heat flux is specified at the interface, which connects the solid structure and the fluid flow as an integral system. Numerical results are compared with analytical and experimental data for a flat plate and a C3X cooled turbine cascade. A simplified drum-disk system is also simulated to show the effectiveness of this hybrid grid system.

Energy flux parametrization as an opportunity to get Urban Heat Island insights: The case of Athens, Greece (Thermopolis 2009 Campaign).

PubMed

Loupa, G; Rapsomanikis, S; Trepekli, A; Kourtidis, K

2016-01-15

Energy flux parameterization was effected for the city of Athens, Greece, by utilizing two approaches, the Local-Scale Urban Meteorological Parameterization Scheme (LUMPS) and the Bulk Approach (BA). In situ acquired data are used to validate the algorithms of these schemes and derive coefficients applicable to the study area. Model results from these corrected algorithms are compared with literature results for coefficients applicable to other cities and their varying construction materials. Asphalt and concrete surfaces, canyons and anthropogenic heat releases were found to be the key characteristics of the city center that sustain the elevated surface and air temperatures, under hot, sunny and dry weather, during the Mediterranean summer. A relationship between storage heat flux plus anthropogenic energy flux and temperatures (surface and lower atmosphere) is presented, that results in understanding of the interplay between temperatures, anthropogenic energy releases and the city characteristics under the Urban Heat Island conditions.

A Legendre tau-spectral method for solving time-fractional heat equation with nonlocal conditions.

PubMed

Bhrawy, A H; Alghamdi, M A

2014-01-01

We develop the tau-spectral method to solve the time-fractional heat equation (T-FHE) with nonlocal condition. In order to achieve highly accurate solution of this problem, the operational matrix of fractional integration (described in the Riemann-Liouville sense) for shifted Legendre polynomials is investigated in conjunction with tau-spectral scheme and the Legendre operational polynomials are used as the base function. The main advantage in using the presented scheme is that it converts the T-FHE with nonlocal condition to a system of algebraic equations that simplifies the problem. For demonstrating the validity and applicability of the developed spectral scheme, two numerical examples are presented. The logarithmic graphs of the maximum absolute errors is presented to achieve the exponential convergence of the proposed method. Comparing between our spectral method and other methods ensures that our method is more accurate than those solved similar problem.

A Legendre tau-Spectral Method for Solving Time-Fractional Heat Equation with Nonlocal Conditions

PubMed Central

Bhrawy, A. H.; Alghamdi, M. A.

2014-01-01

We develop the tau-spectral method to solve the time-fractional heat equation (T-FHE) with nonlocal condition. In order to achieve highly accurate solution of this problem, the operational matrix of fractional integration (described in the Riemann-Liouville sense) for shifted Legendre polynomials is investigated in conjunction with tau-spectral scheme and the Legendre operational polynomials are used as the base function. The main advantage in using the presented scheme is that it converts the T-FHE with nonlocal condition to a system of algebraic equations that simplifies the problem. For demonstrating the validity and applicability of the developed spectral scheme, two numerical examples are presented. The logarithmic graphs of the maximum absolute errors is presented to achieve the exponential convergence of the proposed method. Comparing between our spectral method and other methods ensures that our method is more accurate than those solved similar problem. PMID:25057507

Coupling WRF double-moment 6-class microphysics schemes to RRTMG radiation scheme in weather research forecasting model

DOE PAGES

Bae, Soo Ya; Hong, Song -You; Lim, Kyo-Sun Sunny

2016-01-01

A method to explicitly calculate the effective radius of hydrometeors in the Weather Research Forecasting (WRF) double-moment 6-class (WDM6) microphysics scheme is designed to tackle the physical inconsistency in cloud properties between the microphysics and radiation processes. At each model time step, the calculated effective radii of hydrometeors from the WDM6 scheme are linked to the Rapid Radiative Transfer Model for GCMs (RRTMG) scheme to consider the cloud effects in radiative flux calculation. This coupling effect of cloud properties between the WDM6 and RRTMG algorithms is examined for a heavy rainfall event in Korea during 25–27 July 2011, and itmore » is compared to the results from the control simulation in which the effective radius is prescribed as a constant value. It is found that the derived radii of hydrometeors in the WDM6 scheme are generally larger than the prescribed values in the RRTMG scheme. Consequently, shortwave fluxes reaching the ground (SWDOWN) are increased over less cloudy regions, showing a better agreement with a satellite image. The overall distribution of the 24-hour accumulated rainfall is not affected but its amount is changed. In conclusion, a spurious rainfall peak over the Yellow Sea is alleviated, whereas the local maximum in the central part of the peninsula is increased.« less

Coupling WRF double-moment 6-class microphysics schemes to RRTMG radiation scheme in weather research forecasting model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bae, Soo Ya; Hong, Song -You; Lim, Kyo-Sun Sunny

A method to explicitly calculate the effective radius of hydrometeors in the Weather Research Forecasting (WRF) double-moment 6-class (WDM6) microphysics scheme is designed to tackle the physical inconsistency in cloud properties between the microphysics and radiation processes. At each model time step, the calculated effective radii of hydrometeors from the WDM6 scheme are linked to the Rapid Radiative Transfer Model for GCMs (RRTMG) scheme to consider the cloud effects in radiative flux calculation. This coupling effect of cloud properties between the WDM6 and RRTMG algorithms is examined for a heavy rainfall event in Korea during 25–27 July 2011, and itmore » is compared to the results from the control simulation in which the effective radius is prescribed as a constant value. It is found that the derived radii of hydrometeors in the WDM6 scheme are generally larger than the prescribed values in the RRTMG scheme. Consequently, shortwave fluxes reaching the ground (SWDOWN) are increased over less cloudy regions, showing a better agreement with a satellite image. The overall distribution of the 24-hour accumulated rainfall is not affected but its amount is changed. In conclusion, a spurious rainfall peak over the Yellow Sea is alleviated, whereas the local maximum in the central part of the peninsula is increased.« less

Coupling WRF Double-Moment 6-Class Microphysics Schemes to RRTMG Radiation Scheme in Weather Research Forecasting Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bae, Soo Ya; Hong, Song-You; Lim, Kyo-Sun Sunny

A method to explicitly calculate the effective radius of hydrometeors in the Weather Research Forecasting (WRF) double-moment 6-class (WDM6) microphysics scheme is designed to tackle the physical inconsistency in cloud properties between the microphysics and radiation processes. At each model time step, the calculated effective radii of hydrometeors from the WDM6 scheme are linked to the Rapid Radiative Transfer Model for GCMs (RRTMG) scheme to consider the cloud effects in radiative flux calculation. This coupling effect of cloud properties between the WDM6 and RRTMG algorithms is examined for a heavy rainfall event in Korea during 25–27 July 2011, and itmore » is compared to the results from the control simulation in which the effective radius is prescribed as a constant value. It is found that the derived radii of hydrometeors in the WDM6 scheme are generally larger than the prescribed values in the RRTMG scheme. Consequently, shortwave fluxes reaching the ground (SWDOWN) are increased over less cloudy regions, showing a better agreement with a satellite image. The overall distribution of the 24-hour accumulated rainfall is not affected but its amount is changed. A spurious rainfall peak over the Yellow Sea is alleviated, whereas the local maximum in the central part of the peninsula is increased.« less

Thermodynamic Calculations for Molecules with Asymmetric Internal Rotors. II. Application to the 1,2-Dihaloethanes

PubMed Central

Wong, Bryan M.; Fadri, Maria M.; Raman, Sumathy

2012-01-01

The thermodynamic properties of three halocarbon molecules relevant in atmospheric and public health applications are presented from ab initio calculations. Our technique makes use of a reaction path-like Hamiltonian to couple all the vibrational modes to a large-amplitude torsion for 1,2-difluoroethane, 1,2-dichloroethane, and 1,2-dibromoethane, each of which possesses a heavy asymmetric rotor. Optimized ab initio energies and Hessians were calculated at the CCSD(T) and MP2 levels of theory, respectively. In addition, to investigate the contribution of electronically excited states to thermodynamic properties, several excited singlet and triplet states for each of the halocarbons were computed at the CASSCF/MRCI level. Using the resulting potentials and projected frequencies, the couplings of all the vibrational modes to the large-amplitude torsion are calculated using the new STAR-P 2.4.0 software platform that automatically parallelizes our codes with distributed memory via a familiar MATLAB interface. Utilizing the efficient parallelization scheme of STAR-P, we obtain thermodynamic properties for each of the halocarbons, with temperatures ranging from 298.15 to 1000 K. We propose that the free energies, entropies, and heat capacities obtained from our methods be used to supplement theoretical and experimental values found in current thermodynamic tables. PMID:17663439

Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes.

PubMed

Wong, Bryan M; Fadri, Maria M; Raman, Sumathy

2008-02-01

The thermodynamic properties of three halocarbon molecules relevant in atmospheric and public health applications are presented from ab initio calculations. Our technique makes use of a reaction path-like Hamiltonian to couple all the vibrational modes to a large-amplitude torsion for 1,2-difluoroethane, 1,2-dichloroethane, and 1,2-dibromoethane, each of which possesses a heavy asymmetric rotor. Optimized ab initio energies and Hessians were calculated at the CCSD(T) and MP2 levels of theory, respectively. In addition, to investigate the contribution of electronically excited states to thermodynamic properties, several excited singlet and triplet states for each of the halocarbons were computed at the CASSCF/MRCI level. Using the resulting potentials and projected frequencies, the couplings of all the vibrational modes to the large-amplitude torsion are calculated using the new STAR-P 2.4.0 software platform that automatically parallelizes our codes with distributed memory via a familiar MATLAB interface. Utilizing the efficient parallelization scheme of STAR-P, we obtain thermodynamic properties for each of the halocarbons, with temperatures ranging from 298.15 to 1000 K. We propose that the free energies, entropies, and heat capacities obtained from our methods be used to supplement theoretical and experimental values found in current thermodynamic tables. (c) 2007 Wiley Periodicals, Inc.

Plasma heating and current drive using intense, pulsed microwaves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cohen, B.I.; Cohen, R.H.; Nevins, W.M.

1988-01-01

The use of powerful new microwave sources, e.g., free-electron lasers and relativistic gyrotrons, provide unique opportunities for novel heating and current-drive schemes in the electron-cyclotron and lower-hybrid ranges of frequencies. These high-power, pulsed sources have a number of technical advantages over conventional, low-intensity sources; and their use can lead to improved current-drive efficiencies and better penetration into a reactor-grade plasma in specific cases. The Microwave Tokamak Experiment at Lawrence Livermore National Laboratory will provide a test for some of these new heating and current-drive schemes. This paper reports theoretical progress both in modeling absorption and current drive for intense pulsesmore » and in analyzing some of the possible complications that may arise, e.g., parametric instabilities and nonlinear self-focusing. 22 refs., 9 figs., 1 tab.« less

A New Homotopy Perturbation Scheme for Solving Singular Boundary Value Problems Arising in Various Physical Models

NASA Astrophysics Data System (ADS)

Roul, Pradip; Warbhe, Ujwal

2017-08-01

The classical homotopy perturbation method proposed by J. H. He, Comput. Methods Appl. Mech. Eng. 178, 257 (1999) is useful for obtaining the approximate solutions for a wide class of nonlinear problems in terms of series with easily calculable components. However, in some cases, it has been found that this method results in slowly convergent series. To overcome the shortcoming, we present a new reliable algorithm called the domain decomposition homotopy perturbation method (DDHPM) to solve a class of singular two-point boundary value problems with Neumann and Robin-type boundary conditions arising in various physical models. Five numerical examples are presented to demonstrate the accuracy and applicability of our method, including thermal explosion, oxygen-diffusion in a spherical cell and heat conduction through a solid with heat generation. A comparison is made between the proposed technique and other existing seminumerical or numerical techniques. Numerical results reveal that only two or three iterations lead to high accuracy of the solution and this newly improved technique introduces a powerful improvement for solving nonlinear singular boundary value problems (SBVPs).

Modeling Climate Change in the Absence of Climate Change Data. Editorial Comment

NASA Technical Reports Server (NTRS)

Skiles, J. W.

1995-01-01

Practitioners of climate change prediction base many of their future climate scenarios on General Circulation Models (GCM's), each model with differing assumptions and parameter requirements. For representing the atmosphere, GCM's typically contain equations for calculating motion of particles, thermodynamics and radiation, and continuity of water vapor. Hydrology and heat balance are usually included for continents, and sea ice and heat balance are included for oceans. The current issue of this journal contains a paper by Van Blarcum et al. (1995) that predicts runoff from nine high-latitude rivers under a doubled CO2 atmosphere. The paper is important since river flow is an indicator variable for climate change. The authors show that precipitation will increase under the imposed perturbations and that owing to higher temperatures earlier in the year that cause the snow pack to melt sooner, runoff will also increase. They base their simulations on output from a GCM coupled with an interesting water routing scheme they have devised. Climate change models have been linked to other models to predict deforestation.

RI/MOM and RI/SMOM renormalization of overlap quark bilinears on domain wall fermion configurations

NASA Astrophysics Data System (ADS)

Bi, Yujiang; Cai, Hao; Chen, Ying; Gong, Ming; Liu, Keh-Fei; Liu, Zhaofeng; Yang, Yi-Bo; χ QCD Collaboration

2018-05-01

Renormalization constants (RCs) of overlap quark bilinear operators on 2 +1 -flavor domain wall fermion configurations are calculated by using the RI/MOM and RI/SMOM schemes. The scale independent RC for the axial vector current is computed by using a Ward identity. Then the RCs for the quark field and the vector, tensor, scalar, and pseudoscalar operators are calculated in both the RI/MOM and RI/SMOM schemes. The RCs are converted to the MS ¯ scheme and we compare the numerical results from using the two intermediate schemes. The lattice size is 4 83×96 and the inverse spacing 1 /a =1.730 (4 ) GeV .

Validation of Martilli's urban boundary layer scheme with measurements from two mid-latitude European cities

NASA Astrophysics Data System (ADS)

Hamdi, R.; Schayes, G.

2007-08-01

Martilli's urban parameterization scheme is improved and implemented in a mesoscale model in order to take into account the typical effects of a real city on the air temperature near the ground and on the surface exchange fluxes. The mesoscale model is run on a single column using atmospheric data and radiation recorded above roof level as forcing. Here, the authors validate Martilli's urban boundary layer scheme using measurements from two mid-latitude European cities: Basel, Switzerland and Marseilles, France. For Basel, the model performance is evaluated with observations of canyon temperature, surface radiation, and energy balance fluxes obtained during the Basel urban boundary layer experiment (BUBBLE). The results show that the urban parameterization scheme represents correctly most of the behavior of the fluxes typical of the city center of Basel, including the large heat uptake by the urban fabric and the positive sensible heat flux at night. For Marseilles, the model performance is evaluated with observations of surface temperature, canyon temperature, surface radiation, and energy balance fluxes collected during the field experiments to constrain models of atmospheric pollution and transport of emissions (ESCOMPTE) and its urban boundary layer (UBL) campaign. At both urban sites, vegetation cover is less than 20%, therefore, particular attention was directed to the ability of Martilli's urban boundary layer scheme to reproduce the observations for the Marseilles city center, where the urban parameters and the synoptic forcing are totally different from Basel. Evaluation of the model with wall, road, and roof surface temperatures gave good results. The model correctly simulates the net radiation, canyon temperature, and the partitioning between the turbulent and storage heat fluxes.

Evaluation of Surface Flux Parameterizations with Long-Term ARM Observations

DOE PAGES

Liu, Gang; Liu, Yangang; Endo, Satoshi

2013-02-01

Surface momentum, sensible heat, and latent heat fluxes are critical for atmospheric processes such as clouds and precipitation, and are parameterized in a variety of models ranging from cloud-resolving models to large-scale weather and climate models. However, direct evaluation of the parameterization schemes for these surface fluxes is rare due to limited observations. This study takes advantage of the long-term observations of surface fluxes collected at the Southern Great Plains site by the Department of Energy Atmospheric Radiation Measurement program to evaluate the six surface flux parameterization schemes commonly used in the Weather Research and Forecasting (WRF) model and threemore » U.S. general circulation models (GCMs). The unprecedented 7-yr-long measurements by the eddy correlation (EC) and energy balance Bowen ratio (EBBR) methods permit statistical evaluation of all six parameterizations under a variety of stability conditions, diurnal cycles, and seasonal variations. The statistical analyses show that the momentum flux parameterization agrees best with the EC observations, followed by latent heat flux, sensible heat flux, and evaporation ratio/Bowen ratio. The overall performance of the parameterizations depends on atmospheric stability, being best under neutral stratification and deteriorating toward both more stable and more unstable conditions. Further diagnostic analysis reveals that in addition to the parameterization schemes themselves, the discrepancies between observed and parameterized sensible and latent heat fluxes may stem from inadequate use of input variables such as surface temperature, moisture availability, and roughness length. The results demonstrate the need for improving the land surface models and measurements of surface properties, which would permit the evaluation of full land surface models.« less

A novel approach to evaluate soil heat flux calculation: An analytical review of nine methods: Soil Heat Flux Calculation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Zhongming; Russell, Eric S.; Missik, Justine E. C.

We evaluated nine methods of soil heat flux calculation using field observations. All nine methods underestimated the soil heat flux by at least 19%. This large underestimation is mainly caused by uncertainties in soil thermal properties.

Quantum diffusion during inflation and primordial black holes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pattison, Chris; Assadullahi, Hooshyar; Wands, David

We calculate the full probability density function (PDF) of inflationary curvature perturbations, even in the presence of large quantum backreaction. Making use of the stochastic-δ N formalism, two complementary methods are developed, one based on solving an ordinary differential equation for the characteristic function of the PDF, and the other based on solving a heat equation for the PDF directly. In the classical limit where quantum diffusion is small, we develop an expansion scheme that not only recovers the standard Gaussian PDF at leading order, but also allows us to calculate the first non-Gaussian corrections to the usual result. Inmore » the opposite limit where quantum diffusion is large, we find that the PDF is given by an elliptic theta function, which is fully characterised by the ratio between the squared width and height (in Planck mass units) of the region where stochastic effects dominate. We then apply these results to the calculation of the mass fraction of primordial black holes from inflation, and show that no more than ∼ 1 e -fold can be spent in regions of the potential dominated by quantum diffusion. We explain how this requirement constrains inflationary potentials with two examples.« less

Quantum diffusion during inflation and primordial black holes

NASA Astrophysics Data System (ADS)

Pattison, Chris; Vennin, Vincent; Assadullahi, Hooshyar; Wands, David

2017-10-01

We calculate the full probability density function (PDF) of inflationary curvature perturbations, even in the presence of large quantum backreaction. Making use of the stochastic-δ N formalism, two complementary methods are developed, one based on solving an ordinary differential equation for the characteristic function of the PDF, and the other based on solving a heat equation for the PDF directly. In the classical limit where quantum diffusion is small, we develop an expansion scheme that not only recovers the standard Gaussian PDF at leading order, but also allows us to calculate the first non-Gaussian corrections to the usual result. In the opposite limit where quantum diffusion is large, we find that the PDF is given by an elliptic theta function, which is fully characterised by the ratio between the squared width and height (in Planck mass units) of the region where stochastic effects dominate. We then apply these results to the calculation of the mass fraction of primordial black holes from inflation, and show that no more than ~ 1 e-fold can be spent in regions of the potential dominated by quantum diffusion. We explain how this requirement constrains inflationary potentials with two examples.

Simulation and analysis of main steam control system based on heat transfer calculation

NASA Astrophysics Data System (ADS)

Huang, Zhenqun; Li, Ruyan; Feng, Zhongbao; Wang, Songhan; Li, Wenbo; Cheng, Jiwei; Jin, Yingai

2018-05-01

In this paper, after thermal power plant 300MW boiler was studied, mat lab was used to write calculation program about heat transfer process between the main steam and boiler flue gas and amount of water was calculated to ensure the main steam temperature keeping in target temperature. Then heat transfer calculation program was introduced into Simulink simulation platform based on control system multiple models switching and heat transfer calculation. The results show that multiple models switching control system based on heat transfer calculation not only overcome the large inertia of main stream temperature, a large hysteresis characteristic of main stream temperature, but also adapted to the boiler load changing.

Support schemes and ownership structures - the policy context for fuel cell based micro-combined heat and power

NASA Astrophysics Data System (ADS)

Schroeder, Sascha Thorsten; Costa, Ana; Obé, Elisabeth

In recent years, fuel cell based micro-combined heat and power (mCHP) has received increasing attention due to its potential contribution to European energy policy goals, i.e., sustainability, competitiveness and security of supply. Besides technical advances, regulatory framework and ownership structures are of crucial importance in order to achieve greater diffusion of the technology in residential applications. This paper analyses the interplay of policy and ownership structures for the future deployment of mCHP. Furthermore, it regards the three country cases Denmark, France and Portugal. Firstly, the implications of different kinds of support schemes on investment risk and the diffusion of a technology are explained conceptually. Secondly, ownership arrangements are addressed. Then, a cross-country comparison on present support schemes for mCHP and competing technologies discusses the national implementation of European legislation in Denmark, France and Portugal. Finally, resulting implications for ownership arrangements on the choice of support scheme are explained. From a conceptual point of view, investment support, feed-in tariffs and price premiums are the most appropriate schemes for fuel cell mCHP. This can be used for improved analysis of operational strategies. The interaction of this plethora of elements necessitates careful balancing from a private- and socio-economic point of view.

Contrastive Analysis of Meteorological Element Effect Simulated by parameterization schemes Land Surface Process of Noah and CLM4 over the Yellow River Source Region

NASA Astrophysics Data System (ADS)

Zhang, Y.; Wen, X.

2017-12-01

The Yellow River source region is situated in the northeast Tibetan Plateau, which is considered as a global climate change hot-spot and one of the most sensitive areas in terms of response to global warming in view of its fragile ecosystem. This region plays an irreplaceable role for downstream water supply of The Yellow River because of its unique topography and variable climate. The water energy cycle processes of the Yellow River source Region from July to September in 2015 were simulated by using the WRF mesoscale numerical model. The two groups respectively used Noah and CLM4 parameterization schemes of land surface process. Based on the observation data of GLDAS data set, ground automatic weather station and Zoige plateau wetland ecosystem research station, the simulated values of near surface meteorological elements and surface energy parameters of two different schemes were compared. The results showed that the daily variations about meteorological factors in Zoige station in September were simulated quite well by the model. The correlation coefficient between the simulated temperature and humidity of the CLM scheme were 0.88 and 0.83, the RMSE were 1.94 ° and 9.97%, and the deviation Bias were 0.04 ° and 3.30%, which was closer to the observation data than the Noah scheme. The correlation coefficients of net radiation, surface heat flux, upward short wave and upward longwave radiation were respectively 0.86, 0.81, 0.84 and 0.88, which corresponded better than the observation data. The sensible heat flux and latent heat flux distribution of the Noah scheme corresponded quite well to GLDAS. the distribution and magnitude of 2m relative humidity and soil moisture were closer to surface observation data because the CLM scheme described the photosynthesis and evapotranspiration of land surface vegetation more rationally. The simulating abilities of precipitation and downward longwave radiation need to be improved. This study provides a theoretical basis for the numerical simulation of water energy cycle in the source region over the Yellow River basin.

Estimation of Surface Temperature and Heat Flux by Inverse Heat Transfer Methods Using Internal Temperatures Measured While Radiantly Heating a Carbon/Carbon Specimen up to 1920 F

NASA Technical Reports Server (NTRS)

Pizzo, Michelle; Daryabeigi, Kamran; Glass, David

2015-01-01

The ability to solve the heat conduction equation is needed when designing materials to be used on vehicles exposed to extremely high temperatures; e.g. vehicles used for atmospheric entry or hypersonic flight. When using test and flight data, computational methods such as finite difference schemes may be used to solve for both the direct heat conduction problem, i.e., solving between internal temperature measurements, and the inverse heat conduction problem, i.e., using the direct solution to march forward in space to the surface of the material to estimate both surface temperature and heat flux. The completed research first discusses the methods used in developing a computational code to solve both the direct and inverse heat transfer problems using one dimensional, centered, implicit finite volume schemes and one dimensional, centered, explicit space marching techniques. The developed code assumed the boundary conditions to be specified time varying temperatures and also considered temperature dependent thermal properties. The completed research then discusses the results of analyzing temperature data measured while radiantly heating a carbon/carbon specimen up to 1920 F. The temperature was measured using thermocouple (TC) plugs (small carbon/carbon material specimens) with four embedded TC plugs inserted into the larger carbon/carbon specimen. The purpose of analyzing the test data was to estimate the surface heat flux and temperature values from the internal temperature measurements using direct and inverse heat transfer methods, thus aiding in the thermal and structural design and analysis of high temperature vehicles.

Numerical Viscosity and the Survival of Gas Giant Protoplanets in Disk Simulations

NASA Astrophysics Data System (ADS)

Pickett, Megan K.; Durisen, Richard H.

2007-01-01

We present three-dimensional hydrodynamic simulations of a gravitationally unstable protoplanetary disk model under the condition of local isothermality. Ordinarily, local isothermality precludes the need for an artificial viscosity (AV) scheme to mediate shocks. Without AV, the disk evolves violently, shredding into dense (although short-lived) clumps. When we introduce our AV treatment in the momentum equation, but without heating due to irreversible compression, our grid-based simulations begin to resemble smoothed particle hydrodynamics (SPH) calculations, where clumps are more likely to survive many orbits. In fact, the standard SPH viscosity appears comparable in strength to the AV that leads to clump longevity in our code. This sensitivity to one numerical parameter suggests extreme caution in interpreting simulations by any code in which long-lived gaseous protoplanetary bodies appear.

A Graphics Processing Unit Implementation of Coulomb Interaction in Molecular Dynamics.

PubMed

Jha, Prateek K; Sknepnek, Rastko; Guerrero-García, Guillermo Iván; Olvera de la Cruz, Monica

2010-10-12

We report a GPU implementation in HOOMD Blue of long-range electrostatic interactions based on the orientation-averaged Ewald sum scheme, introduced by Yakub and Ronchi (J. Chem. Phys. 2003, 119, 11556). The performance of the method is compared to an optimized CPU version of the traditional Ewald sum available in LAMMPS, in the molecular dynamics of electrolytes. Our GPU implementation is significantly faster than the CPU implementation of the Ewald method for small to a sizable number of particles (∼10(5)). Thermodynamic and structural properties of monovalent and divalent hydrated salts in the bulk are calculated for a wide range of ionic concentrations. An excellent agreement between the two methods was found at the level of electrostatic energy, heat capacity, radial distribution functions, and integrated charge of the electrolytes.

Control and design heat flux bending in thermal devices with transformation optics.

PubMed

Xu, Guoqiang; Zhang, Haochun; Jin, Yan; Li, Sen; Li, Yao

2017-04-17

We propose a fundamental latent function of control heat transfer and heat flux density vectors at random positions on thermal materials by applying transformation optics. The expressions for heat flux bending are obtained, and the factors influencing them are investigated in both 2D and 3D cloaking schemes. Under certain conditions, more than one degree of freedom of heat flux bending exists corresponding to the temperature gradients of the 3D domain. The heat flux path can be controlled in random space based on the geometrical azimuths, radial positions, and thermal conductivity ratios of the selected materials.

Calculations of Hubbard U from first-principles

NASA Astrophysics Data System (ADS)

Aryasetiawan, F.; Karlsson, K.; Jepsen, O.; Schönberger, U.

2006-09-01

The Hubbard U of the 3d transition metal series as well as SrVO3 , YTiO3 , Ce, and Gd has been estimated using a recently proposed scheme based on the random-phase approximation. The values obtained are generally in good accord with the values often used in model calculations but for some cases the estimated values are somewhat smaller than those used in the literature. We have also calculated the frequency-dependent U for some of the materials. The strong frequency dependence of U in some of the cases considered in this paper suggests that the static value of U may not be the most appropriate one to use in model calculations. We have also made comparison with the constrained local density approximation (LDA) method and found some discrepancies in a number of cases. We emphasize that our scheme and the constrained local density approximation LDA method theoretically ought to give similar results and the discrepancies may be attributed to technical difficulties in performing calculations based on currently implemented constrained LDA schemes.

Convection in Extratropical Cyclones: Analysis of GPM, NexRAD, GCMs and Re-Analysis

NASA Astrophysics Data System (ADS)

Jeyaratnam, J.; Booth, J. F.; Naud, C. M.; Luo, J.

2017-12-01

Extratropical Cyclones (ETCs) are the most common cause of extreme precipitation in mid-latitudes and are important in the general atmospheric circulation as they redistribute moisture and heat. Isentropic lifting, upright convection, and slantwise convection are mechanisms of vertical motion within an ETC, which deliver different rain rates and might respond differently to global warming. In this study we compare different metrics for identifying convection within the ETC's and calculate the relative contribution of convection to total ETC precipitation. We determine if convection occurs preferentially in specific regions of the storm and decide how to best utilize GPM retrievals covering other parts of the mid-latitudes. Additionally, mid-latitude cyclones are tracked and composites of these tracked cyclones are compared amongst multiple versions of Global Circulation Models (GCMs) from Coupled Model Intercomparison Project Phase 6 (CMIP6) prototype models and re-analysis data; Model Diagnostic Task Force (MDTF) Geophysical Fluid Dynamics Laboratory (GFDL) using a two-plume convection scheme, MDTF GFDL using the Donner convection scheme, Modern-Era Retrospective analysis for Research and Applications, version 2 (MERRA-2), and European Reanalysis produced by the European Center for Medium-Range Weather Forecasts (ECMWF).

Implementation of the high-order schemes QUICK and LECUSSO in the COMMIX-1C Program

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sakai, K.; Sun, J.G.; Sha, W.T.

Multidimensional analysis computer programs based on the finite volume method, such as COMMIX-1C, have been commonly used to simulate thermal-hydraulic phenomena in engineering systems such as nuclear reactors. In COMMIX-1C, the first-order schemes with respect to both space and time are used. In many situations such as flow recirculations and stratifications with steep gradient of velocity and temperature fields, however, high-order difference schemes are necessary for an accurate prediction of the fields. For these reasons, two second-order finite difference numerical schemes, QUICK (Quadratic Upstream Interpolation for Convective Kinematics) and LECUSSO (Local Exact Consistent Upwind Scheme of Second Order), have beenmore » implemented in the COMMIX-1C computer code. The formulations were derived for general three-dimensional flows with nonuniform grid sizes. Numerical oscillation analyses for QUICK and LECUSSO were performed. To damp the unphysical oscillations which occur in calculations with high-order schemes at high mesh Reynolds numbers, a new FRAM (Filtering Remedy and Methodology) scheme was developed and implemented. To be consistent with the high-order schemes, the pressure equation and the boundary conditions for all the conservation equations were also modified to be of second order. The new capabilities in the code are listed. Test calculations were performed to validate the implementation of the high-order schemes. They include the test of the one-dimensional nonlinear Burgers equation, two-dimensional scalar transport in two impinging streams, von Karmann vortex shedding, shear driven cavity flow, Couette flow, and circular pipe flow. The calculated results were compared with available data; the agreement is good.« less

Development and Application of Collaborative Optimization Software for Plate - fin Heat Exchanger

NASA Astrophysics Data System (ADS)

Chunzhen, Qiao; Ze, Zhang; Jiangfeng, Guo; Jian, Zhang

2017-12-01

This paper introduces the design ideas of the calculation software and application examples for plate - fin heat exchangers. Because of the large calculation quantity in the process of designing and optimizing heat exchangers, we used Visual Basic 6.0 as a software development carrier to design a basic calculation software to reduce the calculation quantity. Its design condition is plate - fin heat exchanger which was designed according to the boiler tail flue gas. The basis of the software is the traditional design method of the plate-fin heat exchanger. Using the software for design and calculation of plate-fin heat exchangers, discovery will effectively reduce the amount of computation, and similar to traditional methods, have a high value.

Using time-dependent density functional theory in real time for calculating electronic transport

NASA Astrophysics Data System (ADS)

Schaffhauser, Philipp; Kümmel, Stephan

2016-01-01

We present a scheme for calculating electronic transport within the propagation approach to time-dependent density functional theory. Our scheme is based on solving the time-dependent Kohn-Sham equations on grids in real space and real time for a finite system. We use absorbing and antiabsorbing boundaries for simulating the coupling to a source and a drain. The boundaries are designed to minimize the effects of quantum-mechanical reflections and electrical polarization build-up, which are the major obstacles when calculating transport by applying an external bias to a finite system. We show that the scheme can readily be applied to real molecules by calculating the current through a conjugated molecule as a function of time. By comparing to literature results for the conjugated molecule and to analytic results for a one-dimensional model system we demonstrate the reliability of the concept.

Assessing ocean vertical mixing schemes for the study of climate change

NASA Astrophysics Data System (ADS)

Howard, A. M.; Lindo, F.; Fells, J.; Tulsee, V.; Cheng, Y.; Canuto, V.

2014-12-01

Climate change is a burning issue of our time. It is critical to know the consequences of choosing "business as usual" vs. mitigating our emissions for impacts e.g. ecosystem disruption, sea-level rise, floods and droughts. To make predictions we must model realistically each component of the climate system. The ocean must be modeled carefully as it plays a critical role, including transporting heat and storing heat and dissolved carbon dioxide. Modeling the ocean realistically in turn requires physically based parameterizations of key processes in it that cannot be explicitly represented in a global climate model. One such process is vertical mixing. The turbulence group at NASA-GISS has developed a comprehensive new vertical mixing scheme (GISSVM) based on turbulence theory, including surface convection and wind shear, interior waves and double-diffusion, and bottom tides. The GISSVM is tested in stand-alone ocean simulations before being used in coupled climate models. It is also being upgraded to more faithfully represent the physical processes. To help assess mixing schemes, students use data from NASA-GISS to create visualizations and calculate statistics including mean bias and rms differences and correlations of fields. These are created and programmed with MATLAB. Results with the commonly used KPP mixing scheme and the present GISSVM and candidate improved variants of GISSVM will be compared between stand-alone ocean models and coupled models and observations. This project introduces students to modeling of a complex system, an important theme in contemporary science and helps them gain a better appreciation of climate science and a new perspective on it. They also gain familiarity with MATLAB, a widely used tool, and develop skills in writing and understanding programs. Moreover they contribute to the advancement of science by providing information that will help guide the improvement of the GISSVM and hence of ocean and climate models and ultimately our understanding and prediction of climate. The PI is both a member of the turbulence group at NASA-GISS and an associate professor at Medgar Evers College of CUNY, a minority serving institution in an urban setting in central Brooklyn. This Project is supported by NSF award AGS-1359293 REU site: CUNY/GISS Center for Global Climate Research.

Plasma Heating and Ultrafast Semiconductor Laser Modulation Through a Terahertz Heating Field

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Ning, C. Z.

2000-01-01

Electron-hole plasma heating and ultrafast modulation in a semiconductor laser under a terahertz electrical field are investigated using a set of hydrodynamic equations derived from the semiconductor Bloch equations. The self-consistent treatment of lasing and heating processes leads to the prediction of a strong saturation and degradation of modulation depth even at moderate terahertz field intensity. This saturation places a severe limit to bandwidth achievable with such scheme in ultrafast modulation. Strategies for increasing modulation depth are discussed.

Multi-dimensional high order essentially non-oscillatory finite difference methods in generalized coordinates

NASA Technical Reports Server (NTRS)

Shu, Chi-Wang

1992-01-01

The nonlinear stability of compact schemes for shock calculations is investigated. In recent years compact schemes were used in various numerical simulations including direct numerical simulation of turbulence. However to apply them to problems containing shocks, one has to resolve the problem of spurious numerical oscillation and nonlinear instability. A framework to apply nonlinear limiting to a local mean is introduced. The resulting scheme can be proven total variation (1D) or maximum norm (multi D) stable and produces nice numerical results in the test cases. The result is summarized in the preprint entitled 'Nonlinearly Stable Compact Schemes for Shock Calculations', which was submitted to SIAM Journal on Numerical Analysis. Research was continued on issues related to two and three dimensional essentially non-oscillatory (ENO) schemes. The main research topics include: parallel implementation of ENO schemes on Connection Machines; boundary conditions; shock interaction with hydrogen bubbles, a preparation for the full combustion simulation; and direct numerical simulation of compressible sheared turbulence.

Numerical experiments with a symmetric high-resolution shock-capturing scheme

NASA Technical Reports Server (NTRS)

Yee, H. C.

1986-01-01

Characteristic-based explicit and implicit total variation diminishing (TVD) schemes for the two-dimensional compressible Euler equations have recently been developed. This is a generalization of recent work of Roe and Davis to a wider class of symmetric (non-upwind) TVD schemes other than Lax-Wendroff. The Roe and Davis schemes can be viewed as a subset of the class of explicit methods. The main properties of the present class of schemes are that they can be implicit, and, when steady-state calculations are sought, the numerical solution is independent of the time step. In a recent paper, a comparison of a linearized form of the present implicit symmetric TVD scheme with an implicit upwind TVD scheme originally developed by Harten and modified by Yee was given. Results favored the symmetric method. It was found that the latter is just as accurate as the upwind method while requiring less computational effort. Currently, more numerical experiments are being conducted on time-accurate calculations and on the effect of grid topology, numerical boundary condition procedures, and different flow conditions on the behavior of the method for steady-state applications. The purpose here is to report experiences with this type of scheme and give guidelines for its use.

Calculation of heating power generated from ferromagnetic thermal seed (PdCo-PdNi-CuNi) alloys used as interstitial hyperthermia implants.

PubMed

El-Sayed, Adly H; Aly, A A; EI-Sayed, N I; Mekawy, M M; EI-Gendy, A A

2007-03-01

High quality heating device made of ferromagnetic alloy (thermal seed) was developed for hyperthermia treatment of cancer. The device generates sufficient heat at room temperature and stops heating at the Curie temperature T (c). The power dissipated from each seed was calculated from the area enclosed by the hysteresis loop. A new mathematical formula for the calculation of heating power was derived and showed good agreement with those calculated from hysteresis loop and calorimetric method.

Reducing numerical diffusion for incompressible flow calculations

NASA Technical Reports Server (NTRS)

Claus, R. W.; Neely, G. M.; Syed, S. A.

1984-01-01

A number of approaches for improving the accuracy of incompressible, steady-state flow calculations are examined. Two improved differencing schemes, Quadratic Upstream Interpolation for Convective Kinematics (QUICK) and Skew-Upwind Differencing (SUD), are applied to the convective terms in the Navier-Stokes equations and compared with results obtained using hybrid differencing. In a number of test calculations, it is illustrated that no single scheme exhibits superior performance for all flow situations. However, both SUD and QUICK are shown to be generally more accurate than hybrid differencing.

Implementation of 5-layer thermal diffusion scheme in weather research and forecasting model with Intel Many Integrated Cores

NASA Astrophysics Data System (ADS)

Huang, Melin; Huang, Bormin; Huang, Allen H.

2014-10-01

For weather forecasting and research, the Weather Research and Forecasting (WRF) model has been developed, consisting of several components such as dynamic solvers and physical simulation modules. WRF includes several Land- Surface Models (LSMs). The LSMs use atmospheric information, the radiative and precipitation forcing from the surface layer scheme, the radiation scheme, and the microphysics/convective scheme all together with the land's state variables and land-surface properties, to provide heat and moisture fluxes over land and sea-ice points. The WRF 5-layer thermal diffusion simulation is an LSM based on the MM5 5-layer soil temperature model with an energy budget that includes radiation, sensible, and latent heat flux. The WRF LSMs are very suitable for massively parallel computation as there are no interactions among horizontal grid points. The features, efficient parallelization and vectorization essentials, of Intel Many Integrated Core (MIC) architecture allow us to optimize this WRF 5-layer thermal diffusion scheme. In this work, we present the results of the computing performance on this scheme with Intel MIC architecture. Our results show that the MIC-based optimization improved the performance of the first version of multi-threaded code on Xeon Phi 5110P by a factor of 2.1x. Accordingly, the same CPU-based optimizations improved the performance on Intel Xeon E5- 2603 by a factor of 1.6x as compared to the first version of multi-threaded code.

Visualization techniques to experimentally model flow and heat transfer in turbine and aircraft flow passages

NASA Technical Reports Server (NTRS)

Russell, Louis M.; Hippensteele, Steven A.

1991-01-01

Increased attention to fuel economy and increased thrust requirements have increased the demand for higher aircraft gas turbine engine efficiency through the use of higher turbine inlet temperatures. These higher temperatures increase the importance of understanding the heat transfer patterns which occur throughout the turbine passages. It is often necessary to use a special coating or some form of cooling to maintain metal temperatures at a level which the metal can withstand for long periods of time. Effective cooling schemes can result in significant fuel savings through higher allowable turbine inlet temperatures and can increase engine life. Before proceeding with the development of any new turbine it is economically desirable to create both mathematical and experimental models to study and predict flow characteristics and temperature distributions. Some of the methods are described used to physically model heat transfer patterns, cooling schemes, and other complex flow patterns associated with turbine and aircraft passages.

Turbine Blade and Endwall Heat Transfer Measured in NASA Glenn's Transonic Turbine Blade Cascade

NASA Technical Reports Server (NTRS)

Giel, Paul W.

2000-01-01

Higher operating temperatures increase the efficiency of aircraft gas turbine engines, but can also degrade internal components. High-pressure turbine blades just downstream of the combustor are particularly susceptible to overheating. Computational fluid dynamics (CFD) computer programs can predict the flow around the blades so that potential hot spots can be identified and appropriate cooling schemes can be designed. Various blade and cooling schemes can be examined computationally before any hardware is built, thus saving time and effort. Often though, the accuracy of these programs has been found to be inadequate for predicting heat transfer. Code and model developers need highly detailed aerodynamic and heat transfer data to validate and improve their analyses. The Transonic Turbine Blade Cascade was built at the NASA Glenn Research Center at Lewis Field to help satisfy the need for this type of data.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAP2, has been developed to calculate high Reynolds number, internal/external flows. VNAP2 solves the two-dimensional, time-dependent Navier-Stokes equations. The turbulence is modeled with either a mixing-length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, and internal/external flow calculations are presented.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAP2, was developed to calculate high Reynolds number, internal/ external flows. The VNAP2 program solves the two dimensional, time dependent Navier-Stokes equations. The turbulence is modeled with either a mixing-length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack Scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, external, and internal/external flow calculations are presented.

Computation of high Reynolds number internal/external flows

NASA Technical Reports Server (NTRS)

Cline, M. C.; Wilmoth, R. G.

1981-01-01

A general, user oriented computer program, called VNAF2, developed to calculate high Reynolds number internal/external flows is described. The program solves the two dimensional, time dependent Navier-Stokes equations. Turbulence is modeled with either a mixing length, a one transport equation, or a two transport equation model. Interior grid points are computed using the explicit MacCormack scheme with special procedures to speed up the calculation in the fine grid. All boundary conditions are calculated using a reference plane characteristic scheme with the viscous terms treated as source terms. Several internal, external, and internal/external flow calculations are presented.

Calculations of steady and transient channel flows with a time-accurate L-U factorization scheme

NASA Technical Reports Server (NTRS)

Kim, S.-W.

1991-01-01

Calculations of steady and unsteady, transonic, turbulent channel flows with a time accurate, lower-upper (L-U) factorization scheme are presented. The L-U factorization scheme is formally second-order accurate in time and space, and it is an extension of the steady state flow solver (RPLUS) used extensively to solve compressible flows. A time discretization method and the implementation of a consistent boundary condition specific to the L-U factorization scheme are also presented. The turbulence is described by the Baldwin-Lomax algebraic turbulence model. The present L-U scheme yields stable numerical results with the use of much smaller artificial dissipations than those used in the previous steady flow solver for steady and unsteady channel flows. The capability to solve time dependent flows is shown by solving very weakly excited and strongly excited, forced oscillatory, channel flows.

Heat pump centered integrated community energy systems: system development. Georgia Institute of Technology interim report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wade, D W; Trammel, B C; Dixit, B S

1979-02-01

Heat Pump Centered-Integrated Community Energy Systems (HP-ICES) show the promise of utilizing low-grade thermal energy for low-quality energy requirements such as space heating and cooling. The Heat Pump - Wastewater Heat Recovery (HP-WHR) scheme is one approach to an HP-ICES that proposes to reclaim low-grade thermal energy from a community's wastewater effluent. The concept of an HP-WHR system is developed, the potential performance and economics of such a system is evaluated and the potential for application is examined. A thermodynamic performance analysis of a hypothetical system projects an overall system coefficient of performance (C.O.P.) of from 2.181 to 2.264 formore » wastewater temperatures varying from 50/sup 0/F to 80/sup 0/F. Primary energy source savings from the implementation of this system is projected to be 5.014 QUADS, or the energy equivalent of 687 millions tons of coal, from 1980 to the year 2000. Economic analysis shows the HP-WHR scheme to be cost-competitive, on the basis of a net present value life cycle cost comparison, with conventional residential and light commercial HVAC systems.« less

Improvement of the 2D/1D Method in MPACT Using the Sub-Plane Scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Graham, Aaron M; Collins, Benjamin S; Downar, Thomas

Oak Ridge National Laboratory and the University of Michigan are jointly developing the MPACTcode to be the primary neutron transport code for the Virtual Environment for Reactor Applications (VERA). To solve the transport equation, MPACT uses the 2D/1D method, which decomposes the problem into a stack of 2D planes that are then coupled with a 1D axial calculation. MPACT uses the Method of Characteristics for the 2D transport calculations and P3 for the 1D axial calculations, then accelerates the solution using the 3D Coarse mesh Finite Dierence (CMFD) method. Increasing the number of 2D MOC planes will increase the accuracymore » of the alculation, but will increase the computational burden of the calculations and can cause slow convergence or instability. To prevent these problems while maintaining accuracy, the sub-plane scheme has been implemented in MPACT. This method sub-divides the MOC planes into sub-planes, refining the 1D P3 and 3D CMFD calculations without increasing the number of 2D MOC planes. To test the sub-plane scheme, three of the VERA Progression Problems were selected: Problem 3, a single assembly problem; Problem 4, a 3x3 assembly problem with control rods and pyrex burnable poisons; and Problem 5, a quarter core problem. These three problems demonstrated that the sub-plane scheme can accurately produce intra-plane axial flux profiles that preserve the accuracy of the fine mesh solution. The eigenvalue dierences are negligibly small, and dierences in 3D power distributions are less than 0.1% for realistic axial meshes. Furthermore, the convergence behavior with the sub-plane scheme compares favorably with the conventional 2D/1D method, and the computational expense is decreased for all calculations due to the reduction in expensive MOC calculations.« less

40 CFR 75.83 - Calculation of Hg mass emissions and heat input rate.

Code of Federal Regulations, 2010 CFR

2010-07-01

... heat input rate. 75.83 Section 75.83 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Calculation of Hg mass emissions and heat input rate. The owner or operator shall calculate Hg mass emissions and heat input rate in accordance with the procedures in sections 9.1 through 9.3 of appendix F to...

The Effect of Atmospheric Diabatic Heating on Low-Frequency Oscillations.

NASA Astrophysics Data System (ADS)

Yen, Ming-Cheng

1990-01-01

A diagnostic scheme is devised to illustrate a chain relationship between diabatic heating and planetary -scale divergent and rotational circulations. The scheme consists of the velocity-potential (chi) maintenance equation, which relates diabatic heating and velocity potential, and the streamfunction (psi ) budget equation, which depicts the streamfunction tendency caused by the imbalance between streamfunction tendencies induced by vorticity advection and source. The proposed scheme is employed to examine the effect of tropical diabatic heating on the annual variation of subtropical jet streams. Furthermore, the chi -maintenance analysis is used to examine how the 30-60 day oscillation of planetary-scale divergent circulation is maintained; and the psi-budget analysis is performed to illustrate how the 30-60 day velocity potential (~{chi}) mode interacts with the upper-level monsoon flow to induce the 30-60 day oscillation of the tropical easterly jet. It was found that annual variations of both tropical diabatic heating and planetary-scale divergent circulation exhibit an annual in-phase seesaw oscillation between the winter and summer hemispheres. The annual variation of subtropical jet streams is caused by the adjustment of atmospheric rotational flow through planetary-scale divergent circulation in response to the annual cycle of tropical diabatic heating. The chi-maintenance equation is expressed as chi = chi _sp{rm Q}{.} - chi_{rm HA} , where chi_sp{rm Q}{.} and chi_ {rm HA} are the effects of vertical differential diabatic and adiabatic heating, respectively. The 30-60 day chi oscillation is shown to be primarily maintained by the differential diabatic heating effect, which can be inferred from the H _{rm VD} anomalies, the Laplician of the filtered chi_sp{rm Q}{.} anomalies. The resemblance of the H_{rm VD} and OLR anomalies in terms of the geographic distributions indicates that the differential diabatic heating effect maintaining the 30-60 day chi oscillation is attributable to the latent heat released by cumulus convection. The synoptic relationship among (~ {chi}, nabla~ {chi}) (200 mb), OLR and ~{psi} (200 mb) makes clear the synchronization of the 30-60 day oscillation of the tropical easterly jet and the Somali jet. The significant outcome of the psi-budget analysis demonstrates that the 30-60 day oscillation of the southern part of the tropical easterly jet is a response of the upper-level monsoon circulation to the eastward propagating ~{chi} mode.

Bypass valve and coolant flow controls for optimum temperatures in waste heat recovery systems

DOEpatents

Meisner, Gregory P

2013-10-08

Implementing an optimized waste heat recovery system includes calculating a temperature and a rate of change in temperature of a heat exchanger of a waste heat recovery system, and predicting a temperature and a rate of change in temperature of a material flowing through a channel of the waste heat recovery system. Upon determining the rate of change in the temperature of the material is predicted to be higher than the rate of change in the temperature of the heat exchanger, the optimized waste heat recovery system calculates a valve position and timing for the channel that is configurable for achieving a rate of material flow that is determined to produce and maintain a defined threshold temperature of the heat exchanger, and actuates the valve according to the calculated valve position and calculated timing.

Investigation of Spray Cooling Schemes for Dynamic Thermal Management

NASA Astrophysics Data System (ADS)

Yata, Vishnu Vardhan Reddy

This study aims to investigate variable flow and intermittent flow spray cooling characteristics for efficiency improvement in active two-phase thermal management systems. Variable flow spray cooling scheme requires control of pump input voltage (or speed), while intermittent flow spray cooling scheme requires control of solenoid valve duty cycle and frequency. Several testing scenarios representing dynamic heat load conditions are implemented to characterize the overall performance of variable flow and intermittent flow spray cooling cases in comparison with the reference, steady flow spray cooling case with constant flowrate, continuous spray cooling. Tests are conducted on a small-scale, closed loop spray cooling system featuring a pressure atomized spray nozzle. HFE-7100 dielectric liquid is selected as the working fluid. Two types of test samples are prepared on 10 mm x 10 mm x 2 mm copper substrates with matching size thick film resistors attached onto the opposite side, to generate heat and simulate high heat flux electronic devices. The test samples include: (i) plain, smooth surface, and (ii) microporous surface featuring 100 ?m thick copper-based coating prepared by dual stage electroplating technique. Experimental conditions involve HFE-7100 at atmospheric pressure and 30°C and 10°C subcooling. Steady flow spray cooling tests are conducted at flow rates of 2-5 ml/cm2.s, by controlling the heat flux in increasing steps, and recording the corresponding steady-state temperatures to obtain cooling curves in the form of surface superheat vs. heat flux. Variable flow and intermittent flow spray cooling tests are done at selected flowrate and subcooling conditions to investigate the effects of dynamic flow conditions on maintaining the target surface temperatures defined based on reference steady flow spray cooling performance.

Seasonal thermal storage: Swedish practice, developments and cost projections

NASA Astrophysics Data System (ADS)

Margen, P.

1981-06-01

The types of heat store being developed in Sweden for seasonal storage of heat are discussed. This type of storage allows summer excess heat from industrial waste heat plants, garbage burning plants and future central solar heat stations to be stored for winter use on district heating networks. Whereas above ground steel or concrete tanks are usually too expensive insulated earth pits, uninsulated rock caverns and deep ground schemes using rock or clay promise to achieve sufficiently low costs to justify storage when supplied with free or cheap summer treat. For all these concepts demonstration plants were or are being built in Sweden.

Parallel computation of fluid-structural interactions using high resolution upwind schemes

NASA Astrophysics Data System (ADS)

Hu, Zongjun

An efficient and accurate solver is developed to simulate the non-linear fluid-structural interactions in turbomachinery flutter flows. A new low diffusion E-CUSP scheme, Zha CUSP scheme, is developed to improve the efficiency and accuracy of the inviscid flux computation. The 3D unsteady Navier-Stokes equations with the Baldwin-Lomax turbulence model are solved using the finite volume method with the dual-time stepping scheme. The linearized equations are solved with Gauss-Seidel line iterations. The parallel computation is implemented using MPI protocol. The solver is validated with 2D cases for its turbulence modeling, parallel computation and unsteady calculation. The Zha CUSP scheme is validated with 2D cases, including a supersonic flat plate boundary layer, a transonic converging-diverging nozzle and a transonic inlet diffuser. The Zha CUSP2 scheme is tested with 3D cases, including a circular-to-rectangular nozzle, a subsonic compressor cascade and a transonic channel. The Zha CUSP schemes are proved to be accurate, robust and efficient in these tests. The steady and unsteady separation flows in a 3D stationary cascade under high incidence and three inlet Mach numbers are calculated to study the steady state separation flow patterns and their unsteady oscillation characteristics. The leading edge vortex shedding is the mechanism behind the unsteady characteristics of the high incidence separated flows. The separation flow characteristics is affected by the inlet Mach number. The blade aeroelasticity of a linear cascade with forced oscillating blades is studied using parallel computation. A simplified two-passage cascade with periodic boundary condition is first calculated under a medium frequency and a low incidence. The full scale cascade with 9 blades and two end walls is then studied more extensively under three oscillation frequencies and two incidence angles. The end wall influence and the blade stability are studied and compared under different frequencies and incidence angles. The Zha CUSP schemes are the first time to be applied in moving grid systems and 2D and 3D calculations. The implicit Gauss-Seidel iteration with dual time stepping is the first time to be used for moving grid systems. The NASA flutter cascade is the first time to be calculated in full scale.

24 CFR 3280.508 - Heat loss, heat gain and cooling load calculations.

Code of Federal Regulations, 2013 CFR

2013-04-01

... Thermal Protection § 3280.508 Heat loss, heat gain and cooling load calculations. (a) Information, values... Loads—Manufactured Homes—February 1992-PNL 8006, HUD User No. 0005945. (c) Areas where the insulation... 24 Housing and Urban Development 5 2013-04-01 2013-04-01 false Heat loss, heat gain and cooling...

24 CFR 3280.508 - Heat loss, heat gain and cooling load calculations.

Code of Federal Regulations, 2010 CFR

2010-04-01

... Thermal Protection § 3280.508 Heat loss, heat gain and cooling load calculations. (a) Information, values... Loads—Manufactured Homes—February 1992-PNL 8006, HUD User No. 0005945. (c) Areas where the insulation... 24 Housing and Urban Development 5 2010-04-01 2010-04-01 false Heat loss, heat gain and cooling...

24 CFR 3280.508 - Heat loss, heat gain and cooling load calculations.

Code of Federal Regulations, 2011 CFR

2011-04-01

... Thermal Protection § 3280.508 Heat loss, heat gain and cooling load calculations. (a) Information, values... Loads—Manufactured Homes—February 1992-PNL 8006, HUD User No. 0005945. (c) Areas where the insulation... 24 Housing and Urban Development 5 2011-04-01 2011-04-01 false Heat loss, heat gain and cooling...

24 CFR 3280.508 - Heat loss, heat gain and cooling load calculations.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Thermal Protection § 3280.508 Heat loss, heat gain and cooling load calculations. (a) Information, values... Loads—Manufactured Homes—February 1992-PNL 8006, HUD User No. 0005945. (c) Areas where the insulation... 24 Housing and Urban Development 5 2012-04-01 2012-04-01 false Heat loss, heat gain and cooling...

24 CFR 3280.508 - Heat loss, heat gain and cooling load calculations.

Code of Federal Regulations, 2014 CFR

2014-04-01

... Thermal Protection § 3280.508 Heat loss, heat gain and cooling load calculations. (a) Information, values... Loads—Manufactured Homes—February 1992-PNL 8006, HUD User No. 0005945. (c) Areas where the insulation... 24 Housing and Urban Development 5 2014-04-01 2014-04-01 false Heat loss, heat gain and cooling...

Numerical Schemes and Computational Studies for Dynamically Orthogonal Equations (Multidisciplinary Simulation, Estimation, and Assimilation Systems: Reports in Ocean Science and Engineering)

DTIC Science & Technology

2011-08-01

heat transfers [49, 52]. However, the DO method has not yet been applied to Boussinesq flows, and the numerical challenges of the DO decomposition for...used a PCE scheme to study mixing in a two-dimensional (2D) microchannel and improved the efficiency of their solution scheme by decoupling the...to several Navier-Stokes flows and their stochastic dynamics has been studied, including mean-mode and mode-mode energy transfers for 2D flows and

Forced convection heat transfer to air/water vapor mixtures

NASA Technical Reports Server (NTRS)

Richards, D. R.; Florschuetz, L. W.

1984-01-01

Heat transfer coefficients were measured using both dry and humid air in the same forced convection cooling scheme and were compared using appropriate nondimensional parameters (Nusselt, Prandtl and Reynolds numbers). A forced convection scheme with a complex flow field, two dimensional arrays of circular jets with crossflow, was utilized with humidity ratios (mass ratio of water vapor to air) up to 0.23. The dynamic viscosity, thermal conductivity and specific heat of air, steam and air/steam mixtures are examined. Methods for determining gaseous mixture properties from the properties of their pure components are reviewed as well as methods for determining these properties with good confidence. The need for more experimentally determined property data for humid air is discussed. It is concluded that dimensionless forms of forced convection heat transfer data and empirical correlations based on measurements with dry air may be applied to conditions involving humid air with the same confidence as for the dry air case itself, provided that the thermophysical properties of the humid air mixtures are known with the same confidence as their dry air counterparts.

Evaluation of an urban land surface scheme over a tropical suburban neighborhood

NASA Astrophysics Data System (ADS)

Harshan, Suraj; Roth, Matthias; Velasco, Erik; Demuzere, Matthias

2017-07-01

The present study evaluates the performance of the SURFEX (TEB/ISBA) urban land surface parametrization scheme in offline mode over a suburban area of Singapore. Model performance (diurnal and seasonal characteristics) is investigated using measurements of energy balance fluxes, surface temperatures of individual urban facets, and canyon air temperature collected during an 11-month period. Model performance is best for predicting net radiation and sensible heat fluxes (both are slightly overpredicted during daytime), but weaker for latent heat (underpredicted during daytime) and storage heat fluxes (significantly underpredicted daytime peaks and nighttime storage). Daytime surface temperatures are generally overpredicted, particularly those containing horizontal surfaces such as roofs and roads. This result, together with those for the storage heat flux, point to the need for a better characterization of the thermal and radiative characteristics of individual urban surface facets in the model. Significant variation exists in model behavior between dry and wet seasons, the latter generally being better predicted. The simple vegetation parametrization used is inadequate to represent seasonal moisture dynamics, sometimes producing unrealistically dry conditions.

Sensing Floquet-Majorana fermions via heat transfer

NASA Astrophysics Data System (ADS)

Molignini, Paolo; van Nieuwenburg, Evert; Chitra, R.

2017-09-01

Time periodic modulations of the transverse field in the closed X Y spin-1/2 chain generate a very rich dynamical phase diagram, with a hierarchy of Zn topological phases characterized by differing numbers of Floquet-Majorana modes. This rich phase diagram survives when the system is coupled to dissipative end reservoirs. Circumventing the obstacle of preparing and measuring quasienergy configurations endemic to Floquet-Majorana detection schemes, we show that stroboscopic heat transport and spin density are robust observables to detect both the dynamical phase transitions and Majorana modes in dissipative settings. We find that the heat current provides very clear signatures of these Floquet topological phase transitions. In particular, we observe that the derivative of the heat current, with respect to a control parameter, changes sign at the boundaries separating topological phases with differing nonzero numbers of Floquet-Majorana modes. We present a simple scheme to directly count the number of Floquet-Majorana modes in a phase from the Fourier transform of the local spin density profile. Our results are valid provided the anisotropies are not strong and can be easily implemented in quantum engineered systems.

Evaluate the urban effect on summer convective precipitation by coupling a urban canopy model with a Regional Climate Model

NASA Astrophysics Data System (ADS)

Liu, Z.; Liu, S.; Xue, Y.; Oleson, K. W.

2013-12-01

One of the most significant urbanization in the world occurred in Great Beijing Area of China during the past several decades. The land use and land cover changes modifies the land surface physical characteristics, including the anthropogenic heat and thermo-dynamic conduction. All of those play important roles in the urban regional climate changes. We developed a single layer urban canopy module based on the Community Land Surface Model Urban Module (CLMU). We have made further improvements in the urban module: the energy balances on the five surface conditions are considered separately: building roof, sun side and shade side wall, pervious and impervious land surface. Over each surface, a method to calculate sky view factor (SVF) is developed based on the physically process while most urban models simply provide an empirical value; A new scheme for calculating the latent heat flux is applied on both wall and impervious land; anthropogenic heat is considered in terms of industrial production, domestic wastes, vehicle and air condition. All of these developments improve the accuracy of surface energy balance processing in urban area. The urban effect on summer convective precipitation under the unstable atmospheric condition in the Great Beijing Area was investigated by simulating a heavy rainfall event in July 21st 2012. In this storm, strong meso-scale convective complexes (MCC) brought precipitation of averagely 164 mm within 6 hours, which is the record of past 60 years in the region. Numerical simulating experiment was set up by coupling MCLMU with WRF. Several condition/blank control cases were also set up. The horizontal resolution in all simulations was 2 km. While all of the control results drastically underestimate the urban precipitation, the result of WRF-MCLMU is much closer to the observation though still underestimated. More sensitive experiments gave a preliminary conclusion of how the urban canopy physics processing affects the local precipitation: the existence of large area of impervious surfaces restrain the surface evaporation and latent heat flux in urban while the anthropogenic heat and enhanced sensible heat flux warm up the lower atmospheric layer and strengthen the vertical stratification instability; In this storm event, the water supply of the MCC was thought to be sufficient, thus the instability of the vertical stratification was the key factor for precipitation.

Experimental Testing and Numerical Modeling of Spray Cooling Under Terrestrial Gravity Conditions

DTIC Science & Technology

2005-01-01

running safely. Mudawar (2000) identifies two heat flux ranges relative to the amount of heat dissipation. The high-flux range includes heat fluxes on...inferior to those of water ( Mudawar , 2000). Phase change cooling can exist in several forms, or cooling schemes. Pool boiling may be used in...addition to reducing the significant effects of flow orientation ( Mudawar , 2000). It is not fully known how low gravity affects flow boiling, as

Computational Fluid Dynamic Solutions of Optimized Heat Shields Designed for Earth Entry

DTIC Science & Technology

2010-01-01

domain ρ = Density (kg/m3) σ = Stefan Boltzmann constant τ = Shear stress tensor τT−V = T-V relaxation time τe−V = e-V relaxation time xi φ = Sweep angle...Vehicle DES = Differential evolutionary Scheme DOR = Design Optimization Tools DPLR = Data Parallel Line Relaxation GSLR = Gauss- Seidel Line... Stefan - Boltzmann constant. This model provides accurate heating predictions, especially for the non-ablating heat-shields explored in this work. Various

Estimating heat capacity and heat content of rocks

USGS Publications Warehouse

Robertson, Eugene C.; Hemingway, Bruch S.

1995-01-01

Our measured heat-capacity values for rocks and other measurements of heat capacity or heat content of rocks found in the literature have been compared with estimated rock heat capacities calculated from the summation of heat capacities of both minerals and oxide components. The validity of calculating the heat content or heat capacity of rocks to better than about ± 3% from its mineral or chemical composition is well demonstrated by the data presented here.

Three-phase flow? Consider helical-coil heat exchangers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haraburda, S.S.

1995-07-01

In recent years, chemical process plants are increasingly encountering processes that require heat exchange in three-phase fluids. A typical application, for example, is heating liquids containing solid catalyst particles and non-condensable gases. Heat exchangers designed for three-phase flow generally have tubes with large diameters (typically greater than two inches), because solids can build-up inside the tube and lead to plugging. At the same time, in order to keep heat-transfer coefficients high, the velocity of the process fluid within the tube should also be high. As a result, heat exchangers for three-phase flow may require less than five tubes -- eachmore » having a required linear length that could exceed several hundred feet. Given these limitations, it is obvious that a basic shell-and-tube heat exchanger is not the most practical solution for this purpose. An alternative for three-phase flow is a helical-coil heat exchanger. The helical-coil units offer a number of advantages, including perpendicular, counter-current flow and flexible overall dimensions for the exchanger itself. The paper presents equations for: calculating the tube-side heat-transfer coefficient; calculating the shell-side heat-transfer coefficient; calculating the heat-exchanger size; calculating the tube-side pressure drop; and calculating shell-side pressure-drop.« less

On the development of OpenFOAM solvers based on explicit and implicit high-order Runge-Kutta schemes for incompressible flows with heat transfer

NASA Astrophysics Data System (ADS)

D'Alessandro, Valerio; Binci, Lorenzo; Montelpare, Sergio; Ricci, Renato

2018-01-01

Open-source CFD codes provide suitable environments for implementing and testing low-dissipative algorithms typically used to simulate turbulence. In this research work we developed CFD solvers for incompressible flows based on high-order explicit and diagonally implicit Runge-Kutta (RK) schemes for time integration. In particular, an iterated PISO-like procedure based on Rhie-Chow correction was used to handle pressure-velocity coupling within each implicit RK stage. For the explicit approach, a projected scheme was used to avoid the "checker-board" effect. The above-mentioned approaches were also extended to flow problems involving heat transfer. It is worth noting that the numerical technology available in the OpenFOAM library was used for space discretization. In this work, we additionally explore the reliability and effectiveness of the proposed implementations by computing several unsteady flow benchmarks; we also show that the numerical diffusion due to the time integration approach is completely canceled using the solution techniques proposed here.

Tangle-Free Finite Element Mesh Motion for Ablation Problems

NASA Technical Reports Server (NTRS)

Droba, Justin

2016-01-01

Mesh motion is the process by which a computational domain is updated in time to reflect physical changes in the material the domain represents. Such a technique is needed in the study of the thermal response of ablative materials, which erode when strong heating is applied to the boundary. Traditionally, the thermal solver is coupled with a linear elastic or biharmonic system whose sole purpose is to update mesh node locations in response to altering boundary heating. Simple mesh motion algorithms rely on boundary surface normals. In such schemes, evolution in time will eventually cause the mesh to intersect and "tangle" with itself, causing failure. Furthermore, such schemes are greatly limited in the problems geometries on which they will be successful. This paper presents a comprehensive and sophisticated scheme that tailors the directions of motion based on context. By choosing directions for each node smartly, the inevitable tangle can be completely avoided and mesh motion on complex geometries can be modeled accurately.

CHP dominates Dutch energy plans

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeffs, E.

For much of the last fifteen years, the Netherlands has been the main market for industrial CHP schemes, thanks to an enlightened program of legislation which has placed emphasis on energy efficiency and rational use of indigenous natural gas reserves. Since 1980, district heating in the Netherlands has been essentially confined to new housing developments and large institutional heat consumers in existing cities. Today a system of capital grants for CHP has stimulated a new wave of much larger industrial CHP schemes in which the utilities are coming in as joint venture partners with a designated steam host. In factmore » the government is unwittingly dictating the design of the plants, since to qualify for grant aid, the proposed plant must have an overall efficiency of at least 60%, and the higher the value the bigger the grant. The major beneficiary in the current round of orders for CHP schemes has been ABB STAL with their 25-MW Type GT 10. 3 figs., 1 tab.« less

Assessment of a surface-layer parameterization scheme in an atmospheric model for varying meteorological conditions

NASA Astrophysics Data System (ADS)

Anurose, T. J.; Bala Subrahamanyam, D.

2014-06-01

The performance of a surface-layer parameterization scheme in a high-resolution regional model (HRM) is carried out by comparing the model-simulated sensible heat flux (H) with the concurrent in situ measurements recorded at Thiruvananthapuram (8.5° N, 76.9° E), a coastal station in India. With a view to examining the role of atmospheric stability in conjunction with the roughness lengths in the determination of heat exchange coefficient (CH) and H for varying meteorological conditions, the model simulations are repeated by assigning different values to the ratio of momentum and thermal roughness lengths (i.e. z0m/z0h) in three distinct configurations of the surface-layer scheme designed for the present study. These three configurations resulted in differential behaviour for the varying meteorological conditions, which is attributed to the sensitivity of CH to the bulk Richardson number (RiB) under extremely unstable, near-neutral and stable stratification of the atmosphere.

DEVELOPMENT OF A SOFTWARE DESIGN TOOL FOR HYBRID SOLAR-GEOTHERMAL HEAT PUMP SYSTEMS IN HEATING- AND COOLING-DOMINATED BUILDINGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yavuzturk, C. C.; Chiasson, A. D.; Filburn, T. P.

This project provides an easy-to-use, menu-driven, software tool for designing hybrid solar-geothermal heat pump systems (GHP) for both heating- and cooling-dominated buildings. No such design tool currently exists. In heating-dominated buildings, the design approach takes advantage of glazed solar collectors to effectively balance the annual thermal loads on the ground with renewable solar energy. In cooling-dominated climates, the design approach takes advantage of relatively low-cost, unglazed solar collectors as the heat rejecting component. The primary benefit of hybrid GHPs is the reduced initial cost of the ground heat exchanger (GHX). Furthermore, solar thermal collectors can be used to balance themore » ground loads over the annual cycle, thus making the GHX fully sustainable; in heating-dominated buildings, the hybrid energy source (i.e., solar) is renewable, in contrast to a typical fossil fuel boiler or electric resistance as the hybrid component; in cooling-dominated buildings, use of unglazed solar collectors as a heat rejecter allows for passive heat rejection, in contrast to a cooling tower that consumes a significant amount of energy to operate, and hybrid GHPs can expand the market by allowing reduced GHX footprint in both heating- and cooling-dominated climates. The design tool allows for the straight-forward design of innovative GHP systems that currently pose a significant design challenge. The project lays the foundations for proper and reliable design of hybrid GHP systems, overcoming a series of difficult and cumbersome steps without the use of a system simulation approach, and without an automated optimization scheme. As new technologies and design concepts emerge, sophisticated design tools and methodologies must accompany them and be made usable for practitioners. Lack of reliable design tools results in reluctance of practitioners to implement more complex systems. A menu-driven software tool for the design of hybrid solar GHP systems is provided that is based on mathematically robust, validated models. An automated optimization tool is used to balance ground loads and incorporated into the simulation engine. With knowledge of the building loads, thermal properties of the ground, the borehole heat exchanger configuration, the heat pump peak hourly and seasonal COP for heating and cooling, the critical heat pump design entering fluid temperature, and the thermal performance of a solar collector, the total GHX length can be calculated along with the area of a supplemental solar collector array and the corresponding reduced GHX length. An economic analysis module allows for the calculation of the lowest capital cost combination of solar collector area and GHX length. ACKNOWLEDGMENTS This project was funded by the United States Department of Energy DOE-DE-FOA-0000116, Recovery Act Geothermal Technologies Program: Ground Source Heat Pumps. The lead contractor, The University of Hartford, was supported by The University of Dayton, and the Oak Ridge National Laboratories. All funding and support for this project as well as contributions of graduate and undergraduate students from the contributing institutions are gratefully acknowledged.« less

ON THE USE OF SHOT NOISE FOR PHOTON COUNTING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zmuidzinas, Jonas, E-mail: jonas@caltech.edu

Lieu et al. have recently claimed that it is possible to substantially improve the sensitivity of radio-astronomical observations. In essence, their proposal is to make use of the intensity of the photon shot noise as a measure of the photon arrival rate. Lieu et al. provide a detailed quantum-mechanical calculation of a proposed measurement scheme that uses two detectors and conclude that this scheme avoids the sensitivity degradation that is associated with photon bunching. If correct, this result could have a profound impact on radio astronomy. Here I present a detailed analysis of the sensitivity attainable using shot-noise measurement schemesmore » that use either one or two detectors, and demonstrate that neither scheme can avoid the photon bunching penalty. I perform both semiclassical and fully quantum calculations of the sensitivity, obtaining consistent results, and provide a formal proof of the equivalence of these two approaches. These direct calculations are furthermore shown to be consistent with an indirect argument based on a correlation method that establishes an independent limit to the sensitivity of shot-noise measurement schemes. Furthermore, these calculations are directly applicable to the regime of interest identified by Lieu et al. Collectively, these results conclusively demonstrate that the photon-bunching sensitivity penalty applies to shot-noise measurement schemes just as it does to ordinary photon counting, in contradiction to the fundamental claim made by Lieu et al. The source of this contradiction is traced to a logical fallacy in their argument.« less

Experimental validation of photon-heating calculation for the Jules Horowitz Reactor

NASA Astrophysics Data System (ADS)

Lemaire, M.; Vaglio-Gaudard, C.; Lyoussi, A.; Reynard-Carette, C.; Di Salvo, J.; Gruel, A.

2015-04-01

The Jules Horowitz Reactor (JHR) is the next Material-Testing Reactor (MTR) under construction at CEA Cadarache. High values of photon heating (up to 20 W/g) are expected in this MTR. As temperature is a key parameter for material behavior, the accuracy of photon-heating calculation in the different JHR structures is an important stake with regard to JHR safety and performances. In order to experimentally validate the calculation of photon heating in the JHR, an integral experiment called AMMON was carried out in the critical mock-up EOLE at CEA Cadarache to help ascertain the calculation bias and its associated uncertainty. Nuclear heating was measured in different JHR-representative AMMON core configurations using ThermoLuminescent Detectors (TLDs) and Optically Stimulated Luminescent Detectors (OSLDs). This article presents the interpretation methodology and the calculation/experiment (C/E) ratio for all the TLD and OSLD measurements conducted in AMMON. It then deals with representativeness elements of the AMMON experiment regarding the JHR and establishes the calculation biases (and its associated uncertainty) applicable to photon-heating calculation for the JHR.

A numerical scheme to calculate temperature and salinity dependent air-water transfer velocities for any gas

NASA Astrophysics Data System (ADS)

Johnson, M. T.

2010-10-01

The ocean-atmosphere flux of a gas can be calculated from its measured or estimated concentration gradient across the air-sea interface and the transfer velocity (a term representing the conductivity of the layers either side of the interface with respect to the gas of interest). Traditionally the transfer velocity has been estimated from empirical relationships with wind speed, and then scaled by the Schmidt number of the gas being transferred. Complex, physically based models of transfer velocity (based on more physical forcings than wind speed alone), such as the NOAA COARE algorithm, have more recently been applied to well-studied gases such as carbon dioxide and DMS (although many studies still use the simpler approach for these gases), but there is a lack of validation of such schemes for other, more poorly studied gases. The aim of this paper is to provide a flexible numerical scheme which will allow the estimation of transfer velocity for any gas as a function of wind speed, temperature and salinity, given data on the solubility and liquid molar volume of the particular gas. New and existing parameterizations (including a novel empirical parameterization of the salinity-dependence of Henry's law solubility) are brought together into a scheme implemented as a modular, extensible program in the R computing environment which is available in the supplementary online material accompanying this paper; along with input files containing solubility and structural data for ~90 gases of general interest, enabling the calculation of their total transfer velocities and component parameters. Comparison of the scheme presented here with alternative schemes and methods for calculating air-sea flux parameters shows good agreement in general. It is intended that the various components of this numerical scheme should be applied only in the absence of experimental data providing robust values for parameters for a particular gas of interest.

Development of a New Model for Accurate Prediction of Cloud Water Deposition on Vegetation

NASA Astrophysics Data System (ADS)

Katata, G.; Nagai, H.; Wrzesinsky, T.; Klemm, O.; Eugster, W.; Burkard, R.

2006-12-01

Scarcity of water resources in arid and semi-arid areas is of great concern in the light of population growth and food shortages. Several experiments focusing on cloud (fog) water deposition on the land surface suggest that cloud water plays an important role in water resource in such regions. A one-dimensional vegetation model including the process of cloud water deposition on vegetation has been developed to better predict cloud water deposition on the vegetation. New schemes to calculate capture efficiency of leaf, cloud droplet size distribution, and gravitational flux of cloud water were incorporated in the model. Model calculations were compared with the data acquired at the Norway spruce forest at the Waldstein site, Germany. High performance of the model was confirmed by comparisons of calculated net radiation, sensible and latent heat, and cloud water fluxes over the forest with measurements. The present model provided a better prediction of measured turbulent and gravitational fluxes of cloud water over the canopy than the Lovett model, which is a commonly used cloud water deposition model. Detailed calculations of evapotranspiration and of turbulent exchange of heat and water vapor within the canopy and the modifications are necessary for accurate prediction of cloud water deposition. Numerical experiments to examine the dependence of cloud water deposition on the vegetation species (coniferous and broad-leaved trees, flat and cylindrical grasses) and structures (Leaf Area Index (LAI) and canopy height) are performed using the presented model. The results indicate that the differences of leaf shape and size have a large impact on cloud water deposition. Cloud water deposition also varies with the growth of vegetation and seasonal change of LAI. We found that the coniferous trees whose height and LAI are 24 m and 2.0 m2m-2, respectively, produce the largest amount of cloud water deposition in all combinations of vegetation species and structures in the experiments.

Study of transient behavior of finned coil heat exchangers

NASA Technical Reports Server (NTRS)

Rooke, S. P.; Elissa, M. G.

1993-01-01

The status of research on the transient behavior of finned coil cross-flow heat exchangers using single phase fluids is reviewed. Applications with available analytical or numerical solutions are discussed. Investigation of water-to-air type cross-flow finned tube heat exchangers is examined through the use of simplified governing equations and an up-wind finite difference scheme. The degenerate case of zero air-side capacitance rate is compared with available exact solution. Generalization of the numerical model is discussed for application to multi-row multi-circuit heat exchangers.

Neural Network approach to assess the thermal affected zone around the injection well in a groundwater heat pump system

NASA Astrophysics Data System (ADS)

Lo Russo, Stefano; Taddia, Glenda; Verda, Vittorio

2014-05-01

The common use of well doublets for groundwater-sourced heating or cooling results in a thermal plume of colder or warmer re-injected groundwater known as the Thermal Affected Zone(TAZ). The plumes may be regarded either as a potential anthropogenic geothermal resource or as pollution, depending on downstream aquifer usage. A fundamental aspect in groundwater heat pump (GWHP) plant design is the correct evaluation of the thermally affected zone that develops around the injection well. Temperature anomalies are detected through numerical methods. Crucial elements in the process of thermal impact assessment are the sizes of installations, their position, the heating/cooling load of the building, and the temperature drop/increase imposed on the re-injected water flow. For multiple-well schemes, heterogeneous aquifers, or variable heating and cooling loads, numerical models that simulate groundwater and heat transport are needed. These tools should consider numerous scenarios obtained considering different heating/cooling loads, positions, and operating modes. Computational fluid dynamic (CFD) models are widely used in this field because they offer the opportunity to calculate the time evolution of the thermal plume produced by a heat pump, depending on the characteristics of the subsurface and the heat pump. Nevertheless, these models require large computational efforts, and therefore their use may be limited to a reasonable number of scenarios. Neural networks could represent an alternative to CFD for assessing the TAZ under different scenarios referring to a specific site. The use of neural networks is proposed to determine the time evolution of the groundwater temperature downstream of an installation as a function of the possible utilization profiles of the heat pump. The main advantage of neural network modeling is the possibility of evaluating a large number of scenarios in a very short time, which is very useful for the preliminary analysis of future multiple installations. The neural network is trained using the results from a CFD model (FEFLOW) applied to the installation at Politecnico di Torino (Italy) under several operating conditions.

Two-loop matching factors for light quark masses and three-loop mass anomalous dimensions in the regularization invariant symmetric momentum-subtraction schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Almeida, Leandro G.; Physics Department, Brookhaven National Laboratory, Upton, New York 11973; Sturm, Christian

2010-09-01

Light quark masses can be determined through lattice simulations in regularization invariant momentum-subtraction (RI/MOM) schemes. Subsequently, matching factors, computed in continuum perturbation theory, are used in order to convert these quark masses from a RI/MOM scheme to the MS scheme. We calculate the two-loop corrections in QCD to these matching factors as well as the three-loop mass anomalous dimensions for the RI/SMOM and RI/SMOM{sub {gamma}{sub {mu}} }schemes. These two schemes are characterized by a symmetric subtraction point. Providing the conversion factors in the two different schemes allows for a better understanding of the systematic uncertainties. The two-loop expansion coefficients ofmore » the matching factors for both schemes turn out to be small compared to the traditional RI/MOM schemes. For n{sub f}=3 quark flavors they are about 0.6%-0.7% and 2%, respectively, of the leading order result at scales of about 2 GeV. Therefore, they will allow for a significant reduction of the systematic uncertainty of light quark mass determinations obtained through this approach. The determination of these matching factors requires the computation of amputated Green's functions with the insertions of quark bilinear operators. As a by-product of our calculation we also provide the corresponding results for the tensor operator.« less

Two-loop matching factors for light quark masses and three-loop mass anomalous dimensions in the RI/SMOM schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sturm, C.; Almeida, L.

2010-04-26

Light quark masses can be determined through lattice simulations in regularization invariant momentum-subtraction (RI/MOM) schemes. Subsequently, matching factors, computed in continuum perturbation theory, are used in order to convert these quark masses from a RI/MOM scheme to the {ovr MS} scheme. We calculate the two-loop corrections in QCD to these matching factors as well as the three-loop mass anomalous dimensions for the RI/SMOM and RI/SMOM{sub {gamma}{mu}} schemes. These two schemes are characterized by a symmetric subtraction point. Providing the conversion factors in the two different schemes allows for a better understanding of the systematic uncertainties. The two-loop expansion coefficients ofmore » the matching factors for both schemes turn out to be small compared to the traditional RI/MOM schemes. For n{sub f} = 3 quark flavors they are about 0.6%-0.7% and 2%, respectively, of the leading order result at scales of about 2 GeV. Therefore, they will allow for a significant reduction of the systematic uncertainty of light quark mass determinations obtained through this approach. The determination of these matching factors requires the computation of amputated Green's functions with the insertions of quark bilinear operators. As a by-product of our calculation we also provide the corresponding results for the tensor operator.« less

First-principles study of elastic and thermodynamic properties of orthorhombic OsB4 under high pressure

NASA Astrophysics Data System (ADS)

Yan, Hai-Yan; Zhang, Mei-Guang; Huang, Duo-Hui; Wei, Qun

2013-04-01

The first-principles study on the elastic properties, elastic anisotropy and thermodynamic properties of the orthorhombic OsB4 is reported using density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation. The calculated equilibrium parameters are in good agreement with the available theoretical data. A complete elastic tensor and crystal anisotropies of the ultra-incompressible OsB4 are determined in the pressure range of 0-50 GPa. By the elastic stability criteria, it is predicted that the orthorhombic OsB4 is stable below 50 GPa. By using the quasi-harmonic Debye model, the heat capacity, the coefficient of thermal expansion, and the Grüneisen parameter of OsB4 are also successfully obtained in the present work.

Bethe-Boltzmann hydrodynamics and spin transport in the XXZ chain

NASA Astrophysics Data System (ADS)

Bulchandani, Vir B.; Vasseur, Romain; Karrasch, Christoph; Moore, Joel E.

2018-01-01

Quantum integrable systems, such as the interacting Bose gas in one dimension and the XXZ quantum spin chain, have an extensive number of local conserved quantities that endow them with exotic thermalization and transport properties. We discuss recently introduced hydrodynamic approaches for such integrable systems from the viewpoint of kinetic theory and extend the previous works by proposing a numerical scheme to solve the hydrodynamic equations for finite times and arbitrary locally equilibrated initial conditions. We then discuss how such methods can be applied to describe nonequilibrium steady states involving ballistic heat and spin currents. In particular, we show that the spin Drude weight in the XXZ chain, previously accessible only by rigorous techniques of limited scope or controversial thermodynamic Bethe ansatz arguments, may be evaluated from hydrodynamics in very good agreement with density-matrix renormalization group calculations.

Renormalization of quark bilinear operators in a momentum-subtraction scheme with a nonexceptional subtraction point

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sturm, C.; Soni, A.; Aoki, Y.

2009-07-01

We extend the Rome-Southampton regularization independent momentum-subtraction renormalization scheme (RI/MOM) for bilinear operators to one with a nonexceptional, symmetric subtraction point. Two-point Green's functions with the insertion of quark bilinear operators are computed with scalar, pseudoscalar, vector, axial-vector and tensor operators at one-loop order in perturbative QCD. We call this new scheme RI/SMOM, where the S stands for 'symmetric'. Conversion factors are derived, which connect the RI/SMOM scheme and the MS scheme and can be used to convert results obtained in lattice calculations into the MS scheme. Such a symmetric subtraction point involves nonexceptional momenta implying a lattice calculation withmore » substantially suppressed contamination from infrared effects. Further, we find that the size of the one-loop corrections for these infrared improved kinematics is substantially decreased in the case of the pseudoscalar and scalar operator, suggesting a much better behaved perturbative series. Therefore it should allow us to reduce the error in the determination of the quark mass appreciably.« less

Comparison of the Calculations Results of Heat Exchange Between a Single-Family Building and the Ground Obtained with the Quasi-Stationary and 3-D Transient Models. Part 2: Intermittent and Reduced Heating Mode

NASA Astrophysics Data System (ADS)

Staszczuk, Anna

2017-03-01

The paper provides comparative results of calculations of heat exchange between ground and typical residential buildings using simplified (quasi-stationary) and more accurate (transient, three-dimensional) methods. Such characteristics as building's geometry, basement hollow and construction of ground touching assemblies were considered including intermittent and reduced heating mode. The calculations with simplified methods were conducted in accordance with currently valid norm: PN-EN ISO 13370:2008. Thermal performance of buildings. Heat transfer via the ground. Calculation methods. Comparative estimates concerning transient, 3-D, heat flow were performed with computer software WUFI®plus. The differences of heat exchange obtained using more exact and simplified methods have been specified as a result of the analysis.

Heating 7.2 user`s manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

Heating 7. 2 user's manual

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childs, K.W.

1993-02-01

HEATING is a general-purpose conduction heat transfer program written in Fortran 77. HEATING can solve steady-state and/or transient heat conduction problems in one-, two-, or three-dimensional Cartesian, cylindrical, or spherical coordinates. A model may include multiple materials, and the thermal conductivity, density, and specific heat of each material may be both time- and temperature-dependent. The thermal conductivity may also be anisotropic. Materials may undergo change of phase. Thermal properties of materials may be input or may be extracted from a material properties library. Heat-generation rates may be dependent on time, temperature, and position, and boundary temperatures may be time- andmore » position-dependent. The boundary conditions, which may be surface-to-environment or surface-to-surface, may be specified temperatures or any combination of prescribed heat flux, forced convection, natural convection, and radiation. The boundary condition parameters may be time- and/or temperature-dependent. General gray-body radiation problems may be modeled with user-defined factors for radiant exchange. The mesh spacing may be variable along each axis. HEATING uses a runtime memory allocation scheme to avoid having to recompile to match memory requirements for each specific problem. HEATING utilizes free-form input. Three steady-state solution techniques are available: point-successive-overrelaxation iterative method with extrapolation, direct-solution, and conjugate gradient. Transient problems may be solved using any one of several finite-difference schemes: Crank-Nicolson implicit, Classical Implicit Procedure (CIP), Classical Explicit Procedure (CEP), or Levy explicit method. The solution of the system of equations arising from the implicit techniques is accomplished by point-successive-overrelaxation iteration and includes procedures to estimate the optimum acceleration parameter.« less

The Electron Bernstein Waves Heating Project In The TJ-II Stellarator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernandez, A.; Cappa, A.; Castejon, F.

2007-09-28

TJ-II is a middle sized flexible Heliac operating in Madrid, whose plasmas are created and heated by ECRH via two 300 kW gyrotrons at second harmonic X-mode (53.2 GHz). Neutral beam injection is used for second phase heating. Since the cut off density for the 2nd harmonic X-mode (n{sub c} = 1.7x10 {sup 19} m{sup -3}) is reached during NBI, EBWs are considered both for providing additional heating after NBI switch on and to perform kinetic studies in high-density plasmas. Previous work has shown that the most suitable scheme for launching EBWs in TJ-II is O-X-B mode conversion, which hasmore » acceptable heating efficiency for central densities above 1.2x10{sup 19} m{sup -3}, with an operating frequency of 28 GHz. In this work, the most relevant theoretical calculations are presented, including the relativistic effects both in ray trajectory and absorption, as well as the results of the optimization of the beam parameters that provide the maximum O-X conversion efficiency at the critical layer. A system based on a 28 GHz-100 ms diode gyrotron will be used to deliver 300 kW through a corrugated waveguide. The microwave beam is directed and focused by a steerable mirror located inside the vacuum vessel. A diagnostic for measuring the EBW emission has been designed and tested on the bench. It uses a section of corrugated waveguide and a glass lens to focus the emission from the plasma into the aperture of a dual polarized quad-ridged horn. It will allow us to determine the EBW mode conversion efficiency, and also provides an indication of the electron temperature evolution in overdense plasmas.« less

Power corrections in the N -jettiness subtraction scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boughezal, Radja; Liu, Xiaohui; Petriello, Frank

We discuss the leading-logarithmic power corrections in the N-jettiness subtraction scheme for higher-order perturbative QCD calculations. We compute the next-to-leading order power corrections for an arbitrary N-jet process, and we explicitly calculate the power correction through next-to-next-to-leading order for color-singlet production for bothmore » $$q\\bar{q}$$ and gg initiated processes. Our results are compact and simple to implement numerically. Including the leading power correction in the N-jettiness subtraction scheme substantially improves its numerical efficiency. Finally, we discuss what features of our techniques extend to processes containing final-state jets.« less

Power corrections in the N -jettiness subtraction scheme

DOE PAGES

Boughezal, Radja; Liu, Xiaohui; Petriello, Frank

2017-03-30

We discuss the leading-logarithmic power corrections in the N-jettiness subtraction scheme for higher-order perturbative QCD calculations. We compute the next-to-leading order power corrections for an arbitrary N-jet process, and we explicitly calculate the power correction through next-to-next-to-leading order for color-singlet production for bothmore » $$q\\bar{q}$$ and gg initiated processes. Our results are compact and simple to implement numerically. Including the leading power correction in the N-jettiness subtraction scheme substantially improves its numerical efficiency. Finally, we discuss what features of our techniques extend to processes containing final-state jets.« less

A conservative scheme for electromagnetic simulation of magnetized plasmas with kinetic electrons

NASA Astrophysics Data System (ADS)

Bao, J.; Lin, Z.; Lu, Z. X.

2018-02-01

A conservative scheme has been formulated and verified for gyrokinetic particle simulations of electromagnetic waves and instabilities in magnetized plasmas. An electron continuity equation derived from the drift kinetic equation is used to time advance the electron density perturbation by using the perturbed mechanical flow calculated from the parallel vector potential, and the parallel vector potential is solved by using the perturbed canonical flow from the perturbed distribution function. In gyrokinetic particle simulations using this new scheme, the shear Alfvén wave dispersion relation in the shearless slab and continuum damping in the sheared cylinder have been recovered. The new scheme overcomes the stringent requirement in the conventional perturbative simulation method that perpendicular grid size needs to be as small as electron collisionless skin depth even for the long wavelength Alfvén waves. The new scheme also avoids the problem in the conventional method that an unphysically large parallel electric field arises due to the inconsistency between electrostatic potential calculated from the perturbed density and vector potential calculated from the perturbed canonical flow. Finally, the gyrokinetic particle simulations of the Alfvén waves in sheared cylinder have superior numerical properties compared with the fluid simulations, which suffer from numerical difficulties associated with singular mode structures.

A Method for Determining the Rate of Heat Transfer from a Wing or Streamline Body

NASA Technical Reports Server (NTRS)

Frick, Charles W; Mccullough, George B

1945-01-01

A method for calculating the rate of heat transfer from the surface of an airfoil or streamline body is presented. A comparison with the results of an experimental investigation indicates that the accuracy of the method is good. This method may be used to calculate the heat supply necessary for heat de-icing or in ascertaining the heat loss from the fuselage of an aircraft operating at great altitude. To illustrate the method, the total rate of heat transfer from an airfoil is calculated and compared with the experimental results.

A Method for Calculating Transient Surface Temperatures and Surface Heating Rates for High-Speed Aircraft

NASA Technical Reports Server (NTRS)

Quinn, Robert D.; Gong, Leslie

2000-01-01

This report describes a method that can calculate transient aerodynamic heating and transient surface temperatures at supersonic and hypersonic speeds. This method can rapidly calculate temperature and heating rate time-histories for complete flight trajectories. Semi-empirical theories are used to calculate laminar and turbulent heat transfer coefficients and a procedure for estimating boundary-layer transition is included. Results from this method are compared with flight data from the X-15 research vehicle, YF-12 airplane, and the Space Shuttle Orbiter. These comparisons show that the calculated values are in good agreement with the measured flight data.

SHABERTH - ANALYSIS OF A SHAFT BEARING SYSTEM (CRAY VERSION)

NASA Technical Reports Server (NTRS)

Coe, H. H.

1994-01-01

The SHABERTH computer program was developed to predict operating characteristics of bearings in a multibearing load support system. Lubricated and non-lubricated bearings can be modeled. SHABERTH calculates the loads, torques, temperatures, and fatigue life for ball and/or roller bearings on a single shaft. The program also allows for an analysis of the system reaction to the termination of lubricant supply to the bearings and other lubricated mechanical elements. SHABERTH has proven to be a valuable tool in the design and analysis of shaft bearing systems. The SHABERTH program is structured with four nested calculation schemes. The thermal scheme performs steady state and transient temperature calculations which predict system temperatures for a given operating state. The bearing dimensional equilibrium scheme uses the bearing temperatures, predicted by the temperature mapping subprograms, and the rolling element raceway load distribution, predicted by the bearing subprogram, to calculate bearing diametral clearance for a given operating state. The shaft-bearing system load equilibrium scheme calculates bearing inner ring positions relative to the respective outer rings such that the external loading applied to the shaft is brought into equilibrium by the rolling element loads which develop at each bearing inner ring for a given operating state. The bearing rolling element and cage load equilibrium scheme calculates the rolling element and cage equilibrium positions and rotational speeds based on the relative inner-outer ring positions, inertia effects, and friction conditions. The ball bearing subprograms in the current SHABERTH program have several model enhancements over similar programs. These enhancements include an elastohydrodynamic (EHD) film thickness model that accounts for thermal heating in the contact area and lubricant film starvation; a new model for traction combined with an asperity load sharing model; a model for the hydrodynamic rolling and shear forces in the inlet zone of lubricated contacts, which accounts for the degree of lubricant film starvation; modeling normal and friction forces between a ball and a cage pocket, which account for the transition between the hydrodynamic and elastohydrodynamic regimes of lubrication; and a model of the effect on fatigue life of the ratio of the EHD plateau film thickness to the composite surface roughness. SHABERTH is intended to be as general as possible. The models in SHABERTH allow for the complete mathematical simulation of real physical systems. Systems are limited to a maximum of five bearings supporting the shaft, a maximum of thirty rolling elements per bearing, and a maximum of one hundred temperature nodes. The SHABERTH program structure is modular and has been designed to permit refinement and replacement of various component models as the need and opportunities develop. A preprocessor is included in the IBM PC version of SHABERTH to provide a user friendly means of developing SHABERTH models and executing the resulting code. The preprocessor allows the user to create and modify data files with minimal effort and a reduced chance for errors. Data is utilized as it is entered; the preprocessor then decides what additional data is required to complete the model. Only this required information is requested. The preprocessor can accommodate data input for any SHABERTH compatible shaft bearing system model. The system may include ball bearings, roller bearings, and/or tapered roller bearings. SHABERTH is written in FORTRAN 77, and two machine versions are available from COSMIC. The CRAY version (LEW-14860) has a RAM requirement of 176K of 64 bit words. The IBM PC version (MFS-28818) is written for IBM PC series and compatible computers running MS-DOS, and includes a sample MS-DOS executable. For execution, the PC version requires at least 1Mb of RAM and an 80386 or 486 processor machine with an 80x87 math co-processor. The standard distribution medium for the IBM PC version is a set of two 5.25 inch 360K MS-DOS format diskettes. The contents of the diske

Transactive control of fast-acting demand response based on thermostatic loads in real-time retail electricity markets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Behboodi, Sahand; Chassin, David P.; Djilali, Ned

Coordinated operation of distributed thermostatic loads such as heat pumps and air conditioners can reduce energy costs and prevents grid congestion, while maintaining room temperatures in the comfort range set by consumers. This paper furthers efforts towards enabling thermostatically controlled loads (TCLs) to participate in real-time retail electricity markets under a transactive control paradigm. An agent-based approach is used to develop an effective and low complexity demand response control scheme for TCLs. The proposed scheme adjusts aggregated thermostatic loads according to real-time grid conditions under both heating and cooling modes. Here, a case study is presented showing the method reducesmore » consumer electricity costs by over 10% compared to uncoordinated operation.« less

Transactive control of fast-acting demand response based on thermostatic loads in real-time retail electricity markets

DOE PAGES

Behboodi, Sahand; Chassin, David P.; Djilali, Ned; ...

2017-07-29

Coordinated operation of distributed thermostatic loads such as heat pumps and air conditioners can reduce energy costs and prevents grid congestion, while maintaining room temperatures in the comfort range set by consumers. This paper furthers efforts towards enabling thermostatically controlled loads (TCLs) to participate in real-time retail electricity markets under a transactive control paradigm. An agent-based approach is used to develop an effective and low complexity demand response control scheme for TCLs. The proposed scheme adjusts aggregated thermostatic loads according to real-time grid conditions under both heating and cooling modes. Here, a case study is presented showing the method reducesmore » consumer electricity costs by over 10% compared to uncoordinated operation.« less

a Cumulus Parameterization Study with Special Attention to the Arakawa-Schubert Scheme

NASA Astrophysics Data System (ADS)

Kao, Chih-Yue Jim

Arakawa and Schubert (1974) developed a cumulus parameterization scheme in a framework that conceptually divides the mutual interaction of the cumulus convection and large-scale disturbance into the categories of large -scale budget requirements and the quasi-equilibrium assumption of cloud work function. We have applied the A-S scheme through a semi-prognostic approach to two different data sets: one is for an intense tropical cloud band event; the other is for tropical composite easterly wave disturbances. Both were observed in GATE. The cloud heating and drying effects predicted by the Arakawa-Schubert scheme are found to agree rather well with the observations. However, it is also found that the Arakawa-Schubert scheme underestimates both condensation and evaporation rates substantially when compared with the cumulus ensemble model results (Soong and Tao, 1980; Tao, 1983). An inclusion of the downdraft effects, as formulated by Johnson (1976), appears to alleviate this deficiency. In order to examine how the Arakawa-Schubert scheme works in a fully prognostic problem, a simulation of the evolution and structure of the tropical cloud band, mentioned above, under the influence of an imposed large-scale low -level forcing has been made, using a two-dimensional hydrostatic model with the inclusion of the Arakawa-Schubert scheme. Basically, the model result indicates that the meso-scale convective system is driven by the excess of the convective heating derived from the Arakawa-Schubert scheme over the adiabatic cooling due to the imposed large-scale lifting and induced meso-scale upward motion. However, as the convective system develops, the adiabatic warming due to the subsidence outside the cloud cluster gradually accumulates into a secondary temperature anomaly which subsequently reduces the original temperature contrast and inhibits the further development of the convective system. A 24 hour integration shows that the model is capable of simulating many important features such as the life cycle, intensity of circulation, and rainfall rates.

Matching the quasiparton distribution in a momentum subtraction scheme

NASA Astrophysics Data System (ADS)

Stewart, Iain W.; Zhao, Yong

2018-03-01

The quasiparton distribution is a spatial correlation of quarks or gluons along the z direction in a moving nucleon which enables direct lattice calculations of parton distribution functions. It can be defined with a nonperturbative renormalization in a regularization independent momentum subtraction scheme (RI/MOM), which can then be perturbatively related to the collinear parton distribution in the MS ¯ scheme. Here we carry out a direct matching from the RI/MOM scheme for the quasi-PDF to the MS ¯ PDF, determining the non-singlet quark matching coefficient at next-to-leading order in perturbation theory. We find that the RI/MOM matching coefficient is insensitive to the ultraviolet region of convolution integral, exhibits improved perturbative convergence when converting between the quasi-PDF and PDF, and is consistent with a quasi-PDF that vanishes in the unphysical region as the proton momentum Pz→∞ , unlike other schemes. This direct approach therefore has the potential to improve the accuracy for converting quasidistribution lattice calculations to collinear distributions.

A New Quantum Watermarking Based on Quantum Wavelet Transforms

NASA Astrophysics Data System (ADS)

Heidari, Shahrokh; Naseri, Mosayeb; Gheibi, Reza; Baghfalaki, Masoud; Rasoul Pourarian, Mohammad; Farouk, Ahmed

2017-06-01

Quantum watermarking is a technique to embed specific information, usually the owner’s identification, into quantum cover data such for copyright protection purposes. In this paper, a new scheme for quantum watermarking based on quantum wavelet transforms is proposed which includes scrambling, embedding and extracting procedures. The invisibility and robustness performances of the proposed watermarking method is confirmed by simulation technique. The invisibility of the scheme is examined by the peak-signal-to-noise ratio (PSNR) and the histogram calculation. Furthermore the robustness of the scheme is analyzed by the Bit Error Rate (BER) and the Correlation Two-Dimensional (Corr 2-D) calculation. The simulation results indicate that the proposed watermarking scheme indicate not only acceptable visual quality but also a good resistance against different types of attack. Supported by Kermanshah Branch, Islamic Azad University, Kermanshah, Iran

A review on potential use of low-temperature water in the urban environment as a thermal-energy source

NASA Astrophysics Data System (ADS)

Laanearu, J.; Borodinecs, A.; Rimeika, M.; Palm, B.

2017-10-01

The thermal-energy potential of urban water sources is largely unused to accomplish the up-to-date requirements of the buildings energy demands in the cities of Baltic Sea Region. A reason is that the natural and excess-heat water sources have a low temperature and heat that should be upgraded before usage. The demand for space cooling should increase in near future with thermal insulation of buildings. There are a number of options to recover heat also from wastewater. It is proposed that a network of heat extraction and insertion including the thermal-energy recovery schemes has potential to be broadly implemented in the region with seasonally alternating temperature. The mapping of local conditions is essential in finding the suitable regions (hot spots) for future application of a heat recovery schemes by combining information about demands with information about available sources. The low-temperature water in the urban environment is viewed as a potential thermal-energy source. To recover thermal energy efficiently, it is also essential to ensure that it is used locally, and adverse effects on environment and industrial processes are avoided. Some characteristics reflecting the energy usage are discussed in respect of possible improvements of energy efficiency.

Ray-tracing 3D dust radiative transfer with DART-Ray: code upgrade and public release

NASA Astrophysics Data System (ADS)

Natale, Giovanni; Popescu, Cristina C.; Tuffs, Richard J.; Clarke, Adam J.; Debattista, Victor P.; Fischera, Jörg; Pasetto, Stefano; Rushton, Mark; Thirlwall, Jordan J.

2017-11-01

We present an extensively updated version of the purely ray-tracing 3D dust radiation transfer code DART-Ray. The new version includes five major upgrades: 1) a series of optimizations for the ray-angular density and the scattered radiation source function; 2) the implementation of several data and task parallelizations using hybrid MPI+OpenMP schemes; 3) the inclusion of dust self-heating; 4) the ability to produce surface brightness maps for observers within the models in HEALPix format; 5) the possibility to set the expected numerical accuracy already at the start of the calculation. We tested the updated code with benchmark models where the dust self-heating is not negligible. Furthermore, we performed a study of the extent of the source influence volumes, using galaxy models, which are critical in determining the efficiency of the DART-Ray algorithm. The new code is publicly available, documented for both users and developers, and accompanied by several programmes to create input grids for different model geometries and to import the results of N-body and SPH simulations. These programmes can be easily adapted to different input geometries, and for different dust models or stellar emission libraries.

Measuring phonon mean free path distributions by probing quasiballistic phonon transport in grating nanostructures

DOE PAGES

Zeng, Lingping; Collins, Kimberlee C.; Hu, Yongjie; ...

2015-11-27

Heat conduction in semiconductors and dielectrics depends upon their phonon mean free paths that describe the average travelling distance between two consecutive phonon scattering events. Nondiffusive phonon transport is being exploited to extract phonon mean free path distributions. Here, we describe an implementation of a nanoscale thermal conductivity spectroscopy technique that allows for the study of mean free path distributions in optically absorbing materials with relatively simple fabrication and a straightforward analysis scheme. We pattern 1D metallic grating of various line widths but fixed gap size on sample surfaces. The metal lines serve as both heaters and thermometers in time-domainmore » thermoreflectance measurements and simultaneously act as wiregrid polarizers that protect the underlying substrate from direct optical excitation and heating. We demonstrate the viability of this technique by studying length-dependent thermal conductivities of silicon at various temperatures. The thermal conductivities measured with different metal line widths are analyzed using suppression functions calculated from the Boltzmann transport equation to extract the phonon mean free path distributions with no calibration required. Furthermore, this table-top ultrafast thermal transport spectroscopy technique enables the study of mean free path spectra in a wide range of technologically important materials.« less

A model for the estimation of the surface fluxes of momentum, heat and moisture of the cloud topped marine atmospheric boundary layer from satellite measurable parameters. M.S. Thesis

NASA Technical Reports Server (NTRS)

Allison, D. E.

1984-01-01

A model is developed for the estimation of the surface fluxes of momentum, heat, and moisture of the cloud topped marine atmospheric boundary layer by use of satellite remotely sensed parameters. The parameters chosen for the problem are the integrated liquid water content, q sub li, the integrated water vapor content, q sub vi, the cloud top temperature, and either a measure of the 10 meter neutral wind speed or the friction velocity at the surface. Under the assumption of a horizontally homogeneous, well-mixed boundary layer, the model calculates the equivalent potential temperature and total water profiles of the boundary layer along with the boundary layer height from inputs of q sub li, q sub vi, and cloud top temperature. These values, along with the 10m neutral wind speed or friction velocity and the sea surface temperature are then used to estimate the surface fluxes. The development of a scheme to parameterize the integrated water vapor outside of the boundary layer for the cases of cold air outbreak and California coastal stratus is presented.

The Design of the Trading Mechanism to Adapt the Development of Mixed Cooling Heating and Power

NASA Astrophysics Data System (ADS)

Liu, D. N.; Li, Z. H.; Zhou, H. M.; Zhao, Q.; Xu, X. F.

2017-08-01

The enterprise who has combined cooling heating and power system has both the customer group and the power generation resources. Therefore, it can be used as a power user, and can also be used as a power generation enterprise to participate in the direct purchase of electricity. This paper combines characteristics of mixed cooling heating and power, designs application business model of mixed cooling heating and power, and puts forward to the scene of cooling heating and power trading scheme, helping the enterprise according to the power supply and demand situation in the region adjust their positions and participate in the electricity market.

Initial Assessment of a Rapid Method of Calculating CEV Environmental Heating

NASA Technical Reports Server (NTRS)

Pickney, John T.; Milliken, Andrew H.

2010-01-01

An innovative method for rapidly calculating spacecraft environmental absorbed heats in planetary orbit is described. The method employs reading a database of pre-calculated orbital absorbed heats and adjusting those heats for desired orbit parameters. The approach differs from traditional Monte Carlo methods that are orbit based with a planet centered coordinate system. The database is based on a spacecraft centered coordinated system where the range of all possible sun and planet look angles are evaluated. In an example case 37,044 orbit configurations were analyzed for average orbital heats on selected spacecraft surfaces. Calculation time was under 2 minutes while a comparable Monte Carlo evaluation would have taken an estimated 26 hours

Parameterization of turbulence and the planetary boundary layer in the GLA Fourth Order GCM

NASA Technical Reports Server (NTRS)

Helfand, H. M.

1985-01-01

A new scheme has been developed to model the planetary boundary layer in the GLAS Fourth Order GCM through explicit resolution of its vertical structure into two or more vertical layers. This involves packing the lowest layers of the GCM close to the ground and developing new parameterization schemes that can express the turbulent vertical fluxes of heat, momentum and moisture at the earth's surface and between the layers that are contained with the PBL region. Offline experiments indicate that the combination of the modified level 2.5 second-order turbulent closure scheme and the 'extended surface layer' similarity scheme should work well to simulate the behavior of the turbulent PBL even at the coarsest vertical resolution with which such schemes will conceivably be used in the GLA Fourth Order GCM.

High speed all optical logic gates based on quantum dot semiconductor optical amplifiers.

PubMed

Ma, Shaozhen; Chen, Zhe; Sun, Hongzhi; Dutta, Niloy K

2010-03-29

A scheme to realize all-optical Boolean logic functions AND, XOR and NOT using semiconductor optical amplifiers with quantum-dot active layers is studied. nonlinear dynamics including carrier heating and spectral hole-burning are taken into account together with the rate equations scheme. Results show with QD excited state and wetting layer serving as dual-reservoir of carriers, as well as the ultra fast carrier relaxation of the QD device, this scheme is suitable for high speed Boolean logic operations. Logic operation can be carried out up to speed of 250 Gb/s.

Analysis of metallic impurity density profiles in low collisionality Joint European Torus H-mode and L-mode plasmas

NASA Astrophysics Data System (ADS)

Puiatti, M. E.; Valisa, M.; Angioni, C.; Garzotti, L.; Mantica, P.; Mattioli, M.; Carraro, L.; Coffey, I.; Sozzi, C.

2006-04-01

This paper describes the behavior of nickel in low confinement (L-mode) and high confinement (H-mode) Joint European Torus (JET) discharges [P. J. Lomas, Plasma Phys. Control. Fusion 31, 1481 (1989)] characterized by the application of radio-frequency (rf) power heating and featuring ITER (International Thermonuclear Experimental Reactor) relevant collisionality. The impurity transport is analyzed on the basis of perturbative experiments (laser blow off injection) and is compared with electron heat and deuterium transport. In the JET plasmas analyzed here, ion cyclotron resonance heating (ICRH) is applied either in mode conversion (MC) to heat the electrons or in minority heating (MH) to heat the ions. The two heating schemes have systematically different effects on nickel transport, yielding flat or slightly hollow nickel density profiles in the case of ICRH in MC and peaked nickel density profiles in the case of rf applied in MH. Accordingly, both diffusion coefficients and pinch velocities of nickel are found to be systematically different. Linear gyrokinetic calculations by means of the code GS2 [M. Kotschenreuther, G. Rewoldt, and W.M. Tang, Comput. Phys. Commun. 88, 128 (1995)] provide a possible explanation of such different behavior by exploring the effects produced by the different microinstabilities present in these plasmas. In particular, trapped electron modes driven by the stronger electron temperature gradients measured in the MC cases, although subdominant, produce a contribution to the impurity pinch directed outwards that is qualitatively in agreement with the pinch reversal found in the experiment. Particle and heat diffusivities appear to be decoupled in MH shots, with χe and DD≫DNi, and are instead quite similar in the MC ones. In the latter case, nickel transport appears to be driven by the same turbulence that drives the electron heat transport and is sensitive to the value of the electron temperature gradient length. These findings give ground to the idea that in ITER it should be possible to find conditions in which the risk of accumulation of metals such as nickel can be contained.

Energetic approach of biomass hydrolysis in supercritical water.

PubMed

Cantero, Danilo A; Vaquerizo, Luis; Mato, Fidel; Bermejo, M Dolores; Cocero, M José

2015-03-01

Cellulose hydrolysis can be performed in supercritical water with a high selectivity of soluble sugars. The process produces high-pressure steam that can be integrated, from an energy point of view, with the whole biomass treating process. This work investigates the integration of biomass hydrolysis reactors with commercial combined heat and power (CHP) schemes, with special attention to reactor outlet streams. The innovation developed in this work allows adequate energy integration possibilities for heating and compression by using high temperature of the flue gases and direct shaft work from the turbine. The integration of biomass hydrolysis with a CHP process allows the selective conversion of biomass into sugars with low heat requirements. Integrating these two processes, the CHP scheme yield is enhanced around 10% by injecting water in the gas turbine. Furthermore, the hydrolysis reactor can be held at 400°C and 23 MPa using only the gas turbine outlet streams. Copyright © 2014 Elsevier Ltd. All rights reserved.

Runge-Kutta methods combined with compact difference schemes for the unsteady Euler equations

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao

1992-01-01

Recent development using compact difference schemes to solve the Navier-Stokes equations show spectral-like accuracy. A study was made of the numerical characteristics of various combinations of the Runge-Kutta (RK) methods and compact difference schemes to calculate the unsteady Euler equations. The accuracy of finite difference schemes is assessed based on the evaluations of dissipative error. The objectives are reducing the numerical damping and, at the same time, preserving numerical stability. While this approach has tremendous success solving steady flows, numerical characteristics of unsteady calculations remain largely unclear. For unsteady flows, in addition to the dissipative errors, phase velocity and harmonic content of the numerical results are of concern. As a result of the discretization procedure, the simulated unsteady flow motions actually propagate in a dispersive numerical medium. Consequently, the dispersion characteristics of the numerical schemes which relate the phase velocity and wave number may greatly impact the numerical accuracy. The aim is to assess the numerical accuracy of the simulated results. To this end, the Fourier analysis is to provide the dispersive correlations of various numerical schemes. First, a detailed investigation of the existing RK methods is carried out. A generalized form of an N-step RK method is derived. With this generalized form, the criteria are derived for the three and four-step RK methods to be third and fourth-order time accurate for the non-linear equations, e.g., flow equations. These criteria are then applied to commonly used RK methods such as Jameson's 3-step and 4-step schemes and Wray's algorithm to identify the accuracy of the methods. For the spatial discretization, compact difference schemes are presented. The schemes are formulated in the operator-type to render themselves suitable for the Fourier analyses. The performance of the numerical methods is shown by numerical examples. These examples are detailed. described. The third case is a two-dimensional simulation of a Lamb vortex in an uniform flow. This calculation provides a realistic assessment of various finite difference schemes in terms of the conservation of the vortex strength and the harmonic content after travelling a substantial distance. The numerical implementation of Giles' non-refelctive equations coupled with the characteristic equations as the boundary condition is discussed in detail. Finally, the single vortex calculation is extended to simulate vortex pairing. For the distance between two vortices less than a threshold value, numerical results show crisp resolution of the vortex merging.

A new semiclassical decoupling scheme for electronic transitions in molecular collisions - Application to vibrational-to-electronic energy transfer

NASA Technical Reports Server (NTRS)

Lee, H.-W.; Lam, K. S.; Devries, P. L.; George, T. F.

1980-01-01

A new semiclassical decoupling scheme (the trajectory-based decoupling scheme) is introduced in a computational study of vibrational-to-electronic energy transfer for a simple model system that simulates collinear atom-diatom collisions. The probability of energy transfer (P) is calculated quasiclassically using the new scheme as well as quantum mechanically as a function of the atomic electronic-energy separation (lambda), with overall good agreement between the two sets of results. Classical mechanics with the new decoupling scheme is found to be capable of predicting resonance behavior whereas an earlier decoupling scheme (the coordinate-based decoupling scheme) failed. Interference effects are not exhibited in P vs lambda results.

A Fast Code for Jupiter Atmospheric Entry Analysis

NASA Technical Reports Server (NTRS)

Yauber, Michael E.; Wercinski, Paul; Yang, Lily; Chen, Yih-Kanq

1999-01-01

A fast code was developed to calculate the forebody heating environment and heat shielding that is required for Jupiter atmospheric entry probes. A carbon phenolic heat shield material was assumed and, since computational efficiency was a major goal, analytic expressions were used, primarily, to calculate the heating, ablation and the required insulation. The code was verified by comparison with flight measurements from the Galileo probe's entry. The calculation required 3.5 sec of CPU time on a work station, or three to four orders of magnitude less than for previous Jovian entry heat shields. The computed surface recessions from ablation were compared with the flight values at six body stations. The average, absolute, predicted difference in the recession was 13.7% too high. The forebody's mass loss was overpredicted by 5.3% and the heat shield mass was calculated to be 15% less than the probe's actual heat shield. However, the calculated heat shield mass did not include contingencies for the various uncertainties that must be considered in the design of probes. Therefore, the agreement with the Galileo probe's values was satisfactory in view of the code's fast running time and the methods' approximations.

Plume trajectory formation under stack tip self-enveloping

NASA Astrophysics Data System (ADS)

Gribkov, A. M.; Zroichikov, N. A.; Prokhorov, V. B.

2017-10-01

The phenomenon of stack tip self-enveloping and its influence upon the conditions of plume formation and on the trajectory of its motion are considered. Processes are described occurring in the initial part of the plume while the interaction between vertically directed flue gases outflowing from the stack and a horizontally directed moving air flow at high wind velocities that lead to the formation of a flag-like plume. Conditions responsible for the origin and evolution of interaction between these flows are demonstrated. For the first time, a plume formed under these conditions without bifurcation is registered. A photo image thereof is presented. A scheme for the calculation of the motion of a plume trajectory is proposed, the quantitative characteristics of which are obtained based on field observations. The wind velocity and direction, air temperature, and atmospheric turbulence at the level of the initial part of the trajectory have been obtained based on data obtained from an automatic meteorological system (mounted on the outer parts of a 250 m high stack no. 1 at the Naberezhnye Chelny TEPP plant) as well as based on the results of photographing and theodolite sighting of smoke puffs' trajectory taking into account their velocity within its initial part. The calculation scheme is supplemented with a new acting force—the force of self-enveloping. Based on the comparison of the new calculation scheme with the previous one, a significant contribution of this force to the development of the trajectory is revealed. A comparison of the natural full-scale data with the results of the calculation according to the proposed new scheme is made. The proposed calculation scheme has allowed us to extend the application of the existing technique to the range of high wind velocities. This approach would make it possible to simulate and investigate the trajectory and full rising height of the calculated the length above the mouth of flue-pipes, depending on various modal and meteorological parameters under the interrelation between the dynamic and thermal components of the rise as well as to obtain a universal calculation expression for determining the height of the plume rise for different classes of atmospheric stability.

A Fast Code for Jupiter Atmospheric Entry

NASA Technical Reports Server (NTRS)

Tauber, Michael E.; Wercinski, Paul; Yang, Lily; Chen, Yih-Kanq; Arnold, James (Technical Monitor)

1998-01-01

A fast code was developed to calculate the forebody heating environment and heat shielding that is required for Jupiter atmospheric entry probes. A carbon phenolic heat shield material was assumed and, since computational efficiency was a major goal, analytic expressions were used, primarily, to calculate the heating, ablation and the required insulation. The code was verified by comparison with flight measurements from the Galileo probe's entry; the calculation required 3.5 sec of CPU time on a work station. The computed surface recessions from ablation were compared with the flight values at six body stations. The average, absolute, predicted difference in the recession was 12.5% too high. The forebody's mass loss was overpredicted by 5.5% and the heat shield mass was calculated to be 15% less than the probe's actual heat shield. However, the calculated heat shield mass did not include contingencies for the various uncertainties that must be considered in the design of probes. Therefore, the agreement with the Galileo probe's values was considered satisfactory, especially in view of the code's fast running time and the methods' approximations.

Analysis of reaction schemes using maximum rates of constituent steps

PubMed Central

Motagamwala, Ali Hussain; Dumesic, James A.

2016-01-01

We show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, rmax,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of rmax,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of rmax,i can be used to predict the rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. This approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps. PMID:27162366

Analysis of reaction schemes using maximum rates of constituent steps

DOE PAGES

Motagamwala, Ali Hussain; Dumesic, James A.

2016-05-09

In this paper, we show that the steady-state kinetics of a chemical reaction can be analyzed analytically in terms of proposed reaction schemes composed of series of steps with stoichiometric numbers equal to unity by calculating the maximum rates of the constituent steps, r max,i, assuming that all of the remaining steps are quasi-equilibrated. Analytical expressions can be derived in terms of r max,i to calculate degrees of rate control for each step to determine the extent to which each step controls the rate of the overall stoichiometric reaction. The values of r max,i can be used to predict themore » rate of the overall stoichiometric reaction, making it possible to estimate the observed reaction kinetics. This approach can be used for catalytic reactions to identify transition states and adsorbed species that are important in controlling catalyst performance, such that detailed calculations using electronic structure calculations (e.g., density functional theory) can be carried out for these species, whereas more approximate methods (e.g., scaling relations) are used for the remaining species. Finally, this approach to assess the feasibility of proposed reaction schemes is exact for reaction schemes where the stoichiometric coefficients of the constituent steps are equal to unity and the most abundant adsorbed species are in quasi-equilibrium with the gas phase and can be used in an approximate manner to probe the performance of more general reaction schemes, followed by more detailed analyses using full microkinetic models to determine the surface coverages by adsorbed species and the degrees of rate control of the elementary steps.« less

Boson expansion theory in the seniority scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tamura, T.; Li, C.; Pedrocchi, V.G.

1985-12-01

A boson expansion formalism in the seniority scheme is presented and its relation with number-conserving quasiparticle calculations is elucidated. Accuracy and convergence are demonstrated numerically. A comparative discussion with other related approaches is given.

Approximate treatment of semicore states in GW calculations with application to Au clusters.

PubMed

Xian, Jiawei; Baroni, Stefano; Umari, P

2014-03-28

We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G0W0 level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore states are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au20 and Au32, that would be otherwise very difficult to deal with.

Quantum Monte Carlo calculations of NiO

NASA Astrophysics Data System (ADS)

Maezono, Ryo; Towler, Mike D.; Needs, Richard. J.

2008-03-01

We describe variational and diffusion quantum Monte Carlo (VMC and DMC) calculations [1] of NiO using a 1024-electron simulation cell. We have used a smooth, norm-conserving, Dirac-Fock pseudopotential [2] in our work. Our trial wave functions were of Slater-Jastrow form, containing orbitals generated in Gaussian-basis UHF periodic calculations. Jastrow factor is optimized using variance minimization with optimized cutoff lengths using the same scheme as our previous work. [4] We apply the lattice regulated scheme [5] to evaluate non-local pseudopotentials in DMC and find the scheme improves the smoothness of the energy-volume curve. [1] CASINO ver.2.1 User Manual, University of Cambridge (2007). [2] J.R. Trail et.al., J. Chem. Phys. 122, 014112 (2005). [3] CRYSTAL98 User's Manual, University of Torino (1998). [4] Ryo Maezono et.al., Phys. Rev. Lett., 98, 025701 (2007). [5] Michele Casula, Phys. Rev. B 74, 161102R (2006).

Approximate treatment of semicore states in GW calculations with application to Au clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xian, Jiawei; Baroni, Stefano; CNR-IOM Democritos, Theory-Elettra group, Trieste

We address the treatment of transition metal atoms in GW electronic-structure calculations within the plane-wave pseudo-potential formalism. The contributions of s and p semi-core electrons to the self-energy, which are essential to grant an acceptable accuracy, are dealt with using a recently proposed scheme whereby the exchange components are treated exactly at the G{sub 0}W{sub 0} level, whereas a suitable approximation to the correlation components is devised. This scheme is benchmarked for small gold nano-clusters, resulting in ionization potentials, electron affinities, and density of states in very good agreement with those obtained from calculations where s and p semicore statesmore » are treated as valence orbitals, and allowing us to apply this same scheme to clusters of intermediate size, Au{sub 20} and Au{sub 32}, that would be otherwise very difficult to deal with.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Lan, E-mail: chenglanster@gmail.com; Stopkowicz, Stella, E-mail: stella.stopkowicz@kjemi.uio.no; Gauss, Jürgen, E-mail: gauss@uni-mainz.de

A perturbative approach to compute second-order spin-orbit (SO) corrections to a spin-free Dirac-Coulomb Hartree-Fock (SFDC-HF) calculation is suggested. The proposed scheme treats the difference between the DC and SFDC Hamiltonian as perturbation and exploits analytic second-derivative techniques. In addition, a cost-effective scheme for incorporating relativistic effects in high-accuracy calculations is suggested consisting of a SFDC coupled-cluster treatment augmented by perturbative SO corrections obtained at the HF level. Benchmark calculations for the hydrogen halides HX, X = F-At as well as the coinage-metal fluorides CuF, AgF, and AuF demonstrate the accuracy of the proposed perturbative treatment of SO effects on energiesmore » and electrical properties in comparison with the more rigorous full DC treatment. Furthermore, we present, as an application of our scheme, results for the electrical properties of AuF and XeAuF.« less

Application and Evaluation of an Explicit Prognostic Cloud-Cover Scheme in GRAPES Global Forecast System

NASA Astrophysics Data System (ADS)

Ma, Zhanshan; Liu, Qijun; Zhao, Chuanfeng; Shen, Xueshun; Wang, Yuan; Jiang, Jonathan H.; Li, Zhe; Yung, Yuk

2018-03-01

An explicit prognostic cloud-cover scheme (PROGCS) is implemented into the Global/Regional Assimilation and Prediction System (GRAPES) for global middle-range numerical weather predication system (GRAPES_GFS) to improve the model performance in simulating cloud cover and radiation. Unlike the previous diagnostic cloud-cover scheme (DIAGCS), PROGCS considers the formation and dissipation of cloud cover by physically connecting it to the cumulus convection and large-scale stratiform condensation processes. Our simulation results show that clouds in mid-high latitudes arise mainly from large-scale stratiform condensation processes, while cumulus convection and large-scale condensation processes jointly determine cloud cover in low latitudes. Compared with DIAGCS, PROGCS captures more consistent vertical distributions of cloud cover with the observations from Atmospheric Radiation Measurements (ARM) program at the Southern Great Plains (SGP) site and simulates more realistic diurnal cycle of marine stratocumulus with the ERA-Interim reanalysis data. The low, high, and total cloud covers that are determined via PROGCS appear to be more realistic than those simulated via DIAGCS when both are compared with satellite retrievals though the former maintains slight negative biases. In addition, the simulations of outgoing longwave radiation (OLR) at the top of the atmosphere (TOA) from PROGCS runs have been considerably improved as well, resulting in less biases in radiative heating rates at heights below 850 hPa and above 400 hPa of GRAPES_GFS. Our results indicate that a prognostic method of cloud-cover calculation has significant advantage over the conventional diagnostic one, and it should be adopted in both weather and climate simulation and forecast.

Temperature Histories in Ceramic-Insulated Heat-Sink Nozzle

NASA Technical Reports Server (NTRS)

Ciepluch, Carl C.

1960-01-01

Temperature histories were calculated for a composite nozzle wall by a simplified numerical integration calculation procedure. These calculations indicated that there is a unique ratio of insulation and metal heat-sink thickness that will minimize total wall thickness for a given operating condition and required running time. The optimum insulation and metal thickness will vary throughout the nozzle as a result of the variation in heat-transfer rate. The use of low chamber pressure results in a significant increase in the maximum running time of a given weight nozzle. Experimentally measured wall temperatures were lower than those calculated. This was due in part to the assumption of one-dimensional or slab heat flow in the calculation procedure.

Icing Branch Current Research Activities in Icing Physics

NASA Technical Reports Server (NTRS)

Vargas, Mario

2009-01-01

Current development: A grid block transformation scheme which allows the input of grids in arbitrary reference frames, the use of mirror planes, and grids with relative velocities has been developed. A simple ice crystal and sand particle bouncing scheme has been included. Added an SLD splashing model based on that developed by William Wright for the LEWICE 3.2.2 software. A new area based collection efficiency algorithm will be incorporated which calculates trajectories from inflow block boundaries to outflow block boundaries. This method will be used for calculating and passing collection efficiency data between blade rows for turbo-machinery calculations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Bingyu; Zheng, Liancun, E-mail: liancunzheng@ustb.edu.cn; Chen, Shengting

This paper presents an investigation for magnetohydrodynamic (MHD) viscoelastic fluid boundary layer flow and radiation heat transfer over an unsteady stretching sheet in presence of heat source. Time dependent fractional derivative is first introduced in formulating the boundary layer equations. Numerical solutions are obtained by using the finite difference scheme and L1-algorithm approximation. Results indicate that the proposed model describes a basic delaying times framework for viscoelastic flow and radiation heat transfer. The effects of involved parameters on velocity and temperature fields are shown graphically and analyzed in detail.

Heat Exchange in “Human body - Thermal protection - Environment” System

NASA Astrophysics Data System (ADS)

Khromova, I. V.

2017-11-01

This article is devoted to the issues of simulation and calculation of thermal processes in the system called “Human body - Thermal protection - Environment” under low temperature conditions. It considers internal heat sources and convective heat transfer between calculated elements. Overall this is important for the Heat Transfer Theory. The article introduces complex heat transfer calculation method and local thermophysical parameters calculation method in the system called «Human body - Thermal protection - Environment», considering passive and active thermal protections, thermophysical and geometric properties of calculated elements in a wide range of environmental parameters (water, air). It also includes research on the influence that thermal resistance of modern materials, used in special protective clothes development, has on heat transfer in the system “Human body - Thermal protection - Environment”. Analysis of the obtained results allows adding of the computer research data to experiments and optimizing of individual life-support system elements, which are intended to protect human body from exposure to external factors.

Thermal stability analysis of a superconducting magnet considering heat flow between magnet surface and liquid helium

NASA Astrophysics Data System (ADS)

Jang, J. Y.; Hwang, Y. J.; Ahn, M. C.; Choi, Y. S.

2018-07-01

This paper represents a numerical calculation method that enables highly-accurate simulations on temperature analysis of superconducting magnets considering the heat flow between the magnet and liquid helium during a quench. A three-dimensional (3D) superconducting magnet space was divided into many cells and the finite-difference method (FDM) was adopted to calculate the superconducting magnet temperatures governed by the heat transfer and joule heating of the each cell during a quench. To enhance the accuracy of the temperature calculations during a quench, the heat flow between the superconducting magnet surface and liquid helium, which lowers the magnet temperatures, was considered in this work. The electrical equation coupled with the governing thermal equation was also applied to calculate the change of the decay of the magnet current related to the joule heating. The proposed FDM method for temperatures calculation of a superconducting magnet during a quench process achieved results that were in good agreement with those obtained from an experiment.

Comparison of Grouping Schemes for Exposure to Total Dust in Cement Factories in Korea.

PubMed

Koh, Dong-Hee; Kim, Tae-Woo; Jang, Seung Hee; Ryu, Hyang-Woo; Park, Donguk

2015-08-01

The purpose of this study was to evaluate grouping schemes for exposure to total dust in cement industry workers using non-repeated measurement data. In total, 2370 total dust measurements taken from nine Portland cement factories in 1995-2009 were analyzed. Various grouping schemes were generated based on work process, job, factory, or average exposure. To characterize variance components of each grouping scheme, we developed mixed-effects models with a B-spline time trend incorporated as fixed effects and a grouping variable incorporated as a random effect. Using the estimated variance components, elasticity was calculated. To compare the prediction performances of different grouping schemes, 10-fold cross-validation tests were conducted, and root mean squared errors and pooled correlation coefficients were calculated for each grouping scheme. The five exposure groups created a posteriori by ranking job and factory combinations according to average dust exposure showed the best prediction performance and highest elasticity among various grouping schemes. Our findings suggest a grouping method based on ranking of job, and factory combinations would be the optimal choice in this population. Our grouping method may aid exposure assessment efforts in similar occupational settings, minimizing the misclassification of exposures. © The Author 2015. Published by Oxford University Press on behalf of the British Occupational Hygiene Society.

A comparison of two multi-variable integrator windup protection schemes

NASA Technical Reports Server (NTRS)

Mattern, Duane

1993-01-01

Two methods are examined for limit and integrator wind-up protection for multi-input, multi-output linear controllers subject to actuator constraints. The methods begin with an existing linear controller that satisfies the specifications for the nominal, small perturbation, linear model of the plant. The controllers are formulated to include an additional contribution to the state derivative calculations. The first method to be examined is the multi-variable version of the single-input, single-output, high gain, Conventional Anti-Windup (CAW) scheme. Except for the actuator limits, the CAW scheme is linear. The second scheme to be examined, denoted the Modified Anti-Windup (MAW) scheme, uses a scalar to modify the magnitude of the controller output vector while maintaining the vector direction. The calculation of the scalar modifier is a nonlinear function of the controller outputs and the actuator limits. In both cases the constrained actuator is tracked. These two integrator windup protection methods are demonstrated on a turbofan engine control system with five measurements, four control variables, and four actuators. The closed-loop responses of the two schemes are compared and contrasted during limit operation. The issue of maintaining the direction of the controller output vector using the Modified Anti-Windup scheme is discussed and the advantages and disadvantages of both of the IWP methods are presented.

Numerical calculation of the parameters of the efflux from a helium dewar used for cooling of heat shields in a satellite

NASA Technical Reports Server (NTRS)

Brendley, K.; Chato, J. C.

1982-01-01

The parameters of the efflux from a helium dewar in space were numerically calculated. The flow was modeled as a one dimensional compressible ideal gas with variable properties. The primary boundary conditions are flow with friction and flow with heat transfer and friction. Two PASCAL programs were developed to calculate the efflux parameters: EFFLUZD and EFFLUXM. EFFLUXD calculates the minimum mass flow for the given shield temperatures and shield heat inputs. It then calculates the pipe lengths, diameter, and fluid parameters which satisfy all boundary conditions. Since the diameter returned by EFFLUXD is only rarely of nominal size, EFFLUXM calculates the mass flow and shield heat exchange for given pipe lengths, diameter, and shield temperatures.

Dry coolers and air-condensing units (Review)

NASA Astrophysics Data System (ADS)

Milman, O. O.; Anan'ev, P. A.

2016-03-01

The analysis of factors affecting the growth of shortage of freshwater is performed. The state and dynamics of the global market of dry coolers used at electric power plants are investigated. Substantial increase in number and maximum capacity of air-cooled condensers, which have been put into operation in the world in recent years, are noted. The key reasons facilitating the choice of developers of the dry coolers, in particular the independence of the location of thermal power plant from water sources, are enumerated. The main steam turbine heat removal schemes using air cooling are considered, their comparison of thermal efficiency is assessed, and the change of three important parameters, such as surface area of heat transfer, condensate pump flow, and pressure losses in the steam exhaust system, are estimated. It is shown that the most effective is the scheme of direct steam condensation in the heat-exchange tubes, but other schemes also have certain advantages. The air-cooling efficiency may be enhanced much more by using an air-cooling hybrid system: a combination of dry and wet cooling. The basic applied constructive solutions are shown: the arrangement of heat-exchange modules and the types of fans. The optimal mounting design of a fully shopassembled cooling system for heat-exchange modules is represented. Different types of heat-exchange tubes ribbing that take into account the operational features of cooling systems are shown. Heat transfer coefficients of the plants from different manufacturers are compared, and the main reasons for its decline are named. When using evaporative air cooling, it is possible to improve the efficiency of air-cooling units. The factors affecting the faultless performance of dry coolers (DC) and air-condensing units (ACU) and the ways of their elimination are described. A high velocity wind forcing reduces the efficiency of cooling systems and creates preconditions for the development of wind-driven devices. It is noted that global trends have a significant influence on the application of dry coolers in Russia, in view of the fact that some TPP have a surface condensers arrangement. The reasons that these systems are currently less efficient than the direct steam condensation in an air-cooled condenser are explained. It is shown that, in some cases, it is more reasonable to use mixing-type condensers in combination with a dry cooler. Measures for a full import substitution of steam exhaust heat removal systems are mentioned.

Recent advances in jointed quantum mechanics and molecular mechanics calculations of biological macromolecules: schemes and applications coupled to ab initio calculations.

PubMed

Hagiwara, Yohsuke; Tateno, Masaru

2010-10-20

We review the recent research on the functional mechanisms of biological macromolecules using theoretical methodologies coupled to ab initio quantum mechanical (QM) treatments of reaction centers in proteins and nucleic acids. Since in most cases such biological molecules are large, the computational costs of performing ab initio calculations for the entire structures are prohibitive. Instead, simulations that are jointed with molecular mechanics (MM) calculations are crucial to evaluate the long-range electrostatic interactions, which significantly affect the electronic structures of biological macromolecules. Thus, we focus our attention on the methodologies/schemes and applications of jointed QM/MM calculations, and discuss the critical issues to be elucidated in biological macromolecular systems. © 2010 IOP Publishing Ltd

Gold nanoparticles as nanosources of heat

NASA Astrophysics Data System (ADS)

Baffou, Guillaume

2018-04-01

Under illumination at their plasmonic resonance wavelength, gold nanoparticles can absorb incident light and turn into efficient nanosources of heat remotely controllable by light. This fundamental scheme is at the basis of an active field of research coined thermoplasmonics and encompasses numerous applications in physics, chemistry and biology at the micro and nano scales. Warning, no authors found for 2018Phot........48.

Error Estimation in an Optimal Interpolation Scheme for High Spatial and Temporal Resolution SST Analyses

NASA Technical Reports Server (NTRS)

Rigney, Matt; Jedlovec, Gary; LaFontaine, Frank; Shafer, Jaclyn

2010-01-01

Heat and moisture exchange between ocean surface and atmosphere plays an integral role in short-term, regional NWP. Current SST products lack both spatial and temporal resolution to accurately capture small-scale features that affect heat and moisture flux. NASA satellite is used to produce high spatial and temporal resolution SST analysis using an OI technique.

Patched-grid calculations with the Euler and Navier-Stokes equations: Theory and applications

NASA Technical Reports Server (NTRS)

Rai, M. M.

1986-01-01

A patched-grid approach is one in which the flow region of interest is divided into subregions which are then discretized independently using existing grid generator. The equations of motion are integrated in each subregion in conjunction with patch-boundary schemes which allow proper information transfer across interfaces that separate subregions. The patched-grid approach greatly simplifies the treatment of complex geometries and also the addition of grid points to selected regions of the flow. A conservative patch-boundary condition that can be used with explicit, implicit factored and implicit relaxation schemes is described. Several example calculations that demonstrate the capabilities of the patched-grid scheme are also included.

ADAPTIVE TETRAHEDRAL GRID REFINEMENT AND COARSENING IN MESSAGE-PASSING ENVIRONMENTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hallberg, J.; Stagg, A.

2000-10-01

A grid refinement and coarsening scheme has been developed for tetrahedral and triangular grid-based calculations in message-passing environments. The element adaption scheme is based on an edge bisection of elements marked for refinement by an appropriate error indicator. Hash-table/linked-list data structures are used to store nodal and element formation. The grid along inter-processor boundaries is refined and coarsened consistently with the update of these data structures via MPI calls. The parallel adaption scheme has been applied to the solution of a transient, three-dimensional, nonlinear, groundwater flow problem. Timings indicate efficiency of the grid refinement process relative to the flow solvermore » calculations.« less

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial

PubMed Central

Abraham-Shrauner, Barbara

2018-01-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger,1 impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen–Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput. PMID:29657769

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial.

PubMed

Pickard, William F; Abraham-Shrauner, Barbara

2018-03-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger, impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen-Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput.

Simplified models of the symmetric single-pass parallel-plate counterflow heat exchanger: a tutorial

NASA Astrophysics Data System (ADS)

Pickard, William F.; Abraham-Shrauner, Barbara

2018-03-01

The heat exchanger is important in practical thermal processes, especially those of (i) the molten-salt storage schemes, (ii) compressed air energy storage schemes and (iii) other load-shifting thermal storage presumed to undergird a Smart Grid. Such devices, although central to the utilization of energy from sustainable (but intermittent) renewable sources, will be unfamiliar to many scientists, who nevertheless need a working knowledge of them. This tutorial paper provides a largely self-contained conceptual introduction for such persons. It begins by modelling a novel quantized exchanger,1 impractical as a device, but useful for comprehending the underlying thermophysics. It then reviews the one-dimensional steady-state idealization which demonstrates that effectiveness of heat transfer increases monotonically with (device length)/(device throughput). Next, it presents a two-dimensional steady-state idealization for plug flow and from it derives a novel formula for effectiveness of transfer; this formula is then shown to agree well with a finite-difference time-domain solution of the two-dimensional idealization under Hagen-Poiseuille flow. These results are consistent with a conclusion that effectiveness of heat exchange can approach unity, but may involve unwelcome trade-offs among device cost, size and throughput.

Aerodynamic heating and surface temperatures on vehicles for computer-aided design studies

NASA Technical Reports Server (NTRS)

Dejarnette, F. R.; Kania, L. A.; Chitty, A.

1983-01-01

A computer subprogram has been developed to calculate aerodynamic and radiative heating rates and to determine surface temperatures by integrating the heating rates along the trajectory of a vehicle. Convective heating rates are calculated by applying the axisymmetric analogue to inviscid surface streamlines and using relatively simple techniques to calculate laminar, transitional, or turbulent heating rates. Options are provided for the selection of gas model, transition criterion, turbulent heating method, Reynolds Analogy factor, and entropy-layer swallowing effects. Heating rates are compared to experimental data, and the time history of surface temperatures are given for a high-speed trajectory. The computer subprogram is developed for preliminary design and mission analysis where parametric studies are needed at all speeds.

Comparative study of numerical schemes of TVD3, UNO3-ACM and optimized compact scheme

NASA Technical Reports Server (NTRS)

Lee, Duck-Joo; Hwang, Chang-Jeon; Ko, Duck-Kon; Kim, Jae-Wook

1995-01-01

Three different schemes are employed to solve the benchmark problem. The first one is a conventional TVD-MUSCL (Monotone Upwind Schemes for Conservation Laws) scheme. The second scheme is a UNO3-ACM (Uniformly Non-Oscillatory Artificial Compression Method) scheme. The third scheme is an optimized compact finite difference scheme modified by us: the 4th order Runge Kutta time stepping, the 4th order pentadiagonal compact spatial discretization with the maximum resolution characteristics. The problems of category 1 are solved by using the second (UNO3-ACM) and third (Optimized Compact) schemes. The problems of category 2 are solved by using the first (TVD3) and second (UNO3-ACM) schemes. The problem of category 5 is solved by using the first (TVD3) scheme. It can be concluded from the present calculations that the Optimized Compact scheme and the UN03-ACM show good resolutions for category 1 and category 2 respectively.

An Exact Integration Scheme for Radiative Cooling in Hydrodynamical Simulations

NASA Astrophysics Data System (ADS)

Townsend, R. H. D.

2009-04-01

A new scheme for incorporating radiative cooling in hydrodynamical codes is presented, centered around exact integration of the governing semidiscrete cooling equation. Using benchmark calculations based on the cooling downstream of a radiative shock, I demonstrate that the new scheme outperforms traditional explicit and implicit approaches in terms of accuracy, while remaining competitive in terms of execution speed.

Contribution of the Recent AUSM Schemes to the Overflow Code: Implementation and Validation

NASA Technical Reports Server (NTRS)

Liou, Meng-Sing; Buning, Pieter G.

2000-01-01

We shall present results of a recent collaborative effort between the authors attempting to implement the numerical flux scheme, AUSM+ and its new developments, into a widely used NASA code, OVERFLOW. This paper is intended to give a thorough and systematic documentation about the solutions of default test cases using the AUSNI+ scheme. Hence we will address various aspects of numerical solutions, such as accuracy, convergence rate, and effects of turbulence models, over a variety of geometries, speed regimes. We will briefly describe the numerical schemes employed in the calculations, including the capability of solving for low-speed flows and multiphase flows by employing the concept of numerical speed of sound. As a bonus, this low Mach number formulations also enhances convergence to steady solutions for flows even at transonic speed. Calculations for complex 3D turbulent flows were performed with several turbulence models and the results display excellent agreements with measured data.

Large Eddy simulation of compressible flows with a low-numerical dissipation patch-based adaptive mesh refinement method

NASA Astrophysics Data System (ADS)

Pantano, Carlos

2005-11-01

We describe a hybrid finite difference method for large-eddy simulation (LES) of compressible flows with a low-numerical dissipation scheme and structured adaptive mesh refinement (SAMR). Numerical experiments and validation calculations are presented including a turbulent jet and the strongly shock-driven mixing of a Richtmyer-Meshkov instability. The approach is a conservative flux-based SAMR formulation and as such, it utilizes refinement to computational advantage. The numerical method for the resolved scale terms encompasses the cases of scheme alternation and internal mesh interfaces resulting from SAMR. An explicit centered scheme that is consistent with a skew-symmetric finite difference formulation is used in turbulent flow regions while a weighted essentially non-oscillatory (WENO) scheme is employed to capture shocks. The subgrid stresses and transports are calculated by means of the streched-vortex model, Misra & Pullin (1997)

Numerical calculation of thermo-mechanical problems at large strains based on complex step derivative approximation of tangent stiffness matrices

NASA Astrophysics Data System (ADS)

Balzani, Daniel; Gandhi, Ashutosh; Tanaka, Masato; Schröder, Jörg

2015-05-01

In this paper a robust approximation scheme for the numerical calculation of tangent stiffness matrices is presented in the context of nonlinear thermo-mechanical finite element problems and its performance is analyzed. The scheme extends the approach proposed in Kim et al. (Comput Methods Appl Mech Eng 200:403-413, 2011) and Tanaka et al. (Comput Methods Appl Mech Eng 269:454-470, 2014 and bases on applying the complex-step-derivative approximation to the linearizations of the weak forms of the balance of linear momentum and the balance of energy. By incorporating consistent perturbations along the imaginary axis to the displacement as well as thermal degrees of freedom, we demonstrate that numerical tangent stiffness matrices can be obtained with accuracy up to computer precision leading to quadratically converging schemes. The main advantage of this approach is that contrary to the classical forward difference scheme no round-off errors due to floating-point arithmetics exist within the calculation of the tangent stiffness. This enables arbitrarily small perturbation values and therefore leads to robust schemes even when choosing small values. An efficient algorithmic treatment is presented which enables a straightforward implementation of the method in any standard finite-element program. By means of thermo-elastic and thermo-elastoplastic boundary value problems at finite strains the performance of the proposed approach is analyzed.

MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

NASA Astrophysics Data System (ADS)

Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi

2010-10-01

Mukherjee-type (Mk) state specific (SS) multi-reference (MR) coupled-cluster (CC) calculations of 1,n-didehydropolyene diradicals were carried out to elucidate singlet-triplet energy gaps via through-bond coupling between terminal radicals. Spin-unrestricted Hartree-Fock (UHF) based coupled-cluster (CC) computations of these diradicals were also performed. Comparison between symmetry-adapted MkMRCC and broken-symmetry (BS) UHF-CC computational results indicated that spin-contamination error of UHF-CC solutions was left at the SD level, although it had been thought that this error was negligible for the CC scheme in general. In order to eliminate the spin contamination error, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed eliminated the error to yield good agreement with MRCC in energy. The CCD with spin-unrestricted Brueckner's orbital (UB) was also employed for these polyene diradicals, showing that large spin-contamination errors at UHF solutions are dramatically improved, and therefore AP scheme for UBD removed easily the rest of spin-contaminations. Pure- and hybrid-density functional theory (DFT) calculations of the species were also performed. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid DFT. The AP DFT calculations yielded the singlet-triplet energy gaps that were in good agreement with those of MRCC, AP UHF-CC and AP UB-CC. Chemical indices such as the diradical character were calculated with all these methods. Implications of the present computational results are discussed in relation to previous RMRCC calculations of diradical species and BS calculations of large exchange coupled systems.

Mathematical modeling of high and low temperature heat pipes

NASA Technical Reports Server (NTRS)

Chi, S. W.

1971-01-01

Mathematical models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are appended. These programs enable the performance of heat pipes with wrapped-screen, rectangular-groove or screen-covered rectangular-groove wick to be predicted.

Two-dimensional numerical modeling and solution of convection heat transfer in turbulent He II

NASA Technical Reports Server (NTRS)

Zhang, Burt X.; Karr, Gerald R.

1991-01-01

Numerical schemes are employed to investigate heat transfer in the turbulent flow of He II. FEM is used to solve a set of equations governing the heat transfer and hydrodynamics of He II in the turbulent regime. Numerical results are compared with available experimental data and interpreted in terms of conventional heat transfer parameters such as the Prandtl number, the Peclet number, and the Nusselt number. Within the prescribed Reynolds number domain, the Gorter-Mellink thermal counterflow mechanism becomes less significant, and He II acts like an ordinary fluid. The convection heat transfer characteristics of He II in the highly turbulent regime can be successfully described by using the conventional turbulence and heat transfer theories.

Narrowing the error in electron correlation calculations by basis set re-hierarchization and use of the unified singlet and triplet electron-pair extrapolation scheme: Application to a test set of 106 systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varandas, A. J. C., E-mail: varandas@uc.pt; Departamento de Física, Universidade Federal do Espírito Santo, 29075-910 Vitória; Pansini, F. N. N.

2014-12-14

A method previously suggested to calculate the correlation energy at the complete one-electron basis set limit by reassignment of the basis hierarchical numbers and use of the unified singlet- and triplet-pair extrapolation scheme is applied to a test set of 106 systems, some with up to 48 electrons. The approach is utilized to obtain extrapolated correlation energies from raw values calculated with second-order Møller-Plesset perturbation theory and the coupled-cluster singles and doubles excitations method, some of the latter also with the perturbative triples corrections. The calculated correlation energies have also been used to predict atomization energies within an additive scheme.more » Good agreement is obtained with the best available estimates even when the (d, t) pair of hierarchical numbers is utilized to perform the extrapolations. This conceivably justifies that there is no strong reason to exclude double-zeta energies in extrapolations, especially if the basis is calibrated to comply with the theoretical model.« less

Continuous development of schemes for parallel computing of the electrostatics in biological systems: implementation in DelPhi.

PubMed

Li, Chuan; Petukh, Marharyta; Li, Lin; Alexov, Emil

2013-08-15

Due to the enormous importance of electrostatics in molecular biology, calculating the electrostatic potential and corresponding energies has become a standard computational approach for the study of biomolecules and nano-objects immersed in water and salt phase or other media. However, the electrostatics of large macromolecules and macromolecular complexes, including nano-objects, may not be obtainable via explicit methods and even the standard continuum electrostatics methods may not be applicable due to high computational time and memory requirements. Here, we report further development of the parallelization scheme reported in our previous work (Li, et al., J. Comput. Chem. 2012, 33, 1960) to include parallelization of the molecular surface and energy calculations components of the algorithm. The parallelization scheme utilizes different approaches such as space domain parallelization, algorithmic parallelization, multithreading, and task scheduling, depending on the quantity being calculated. This allows for efficient use of the computing resources of the corresponding computer cluster. The parallelization scheme is implemented in the popular software DelPhi and results in speedup of several folds. As a demonstration of the efficiency and capability of this methodology, the electrostatic potential, and electric field distributions are calculated for the bovine mitochondrial supercomplex illustrating their complex topology, which cannot be obtained by modeling the supercomplex components alone. Copyright © 2013 Wiley Periodicals, Inc.

The Effect of Multigrid Parameters in a 3D Heat Diffusion Equation

NASA Astrophysics Data System (ADS)

Oliveira, F. De; Franco, S. R.; Pinto, M. A. Villela

2018-02-01

The aim of this paper is to reduce the necessary CPU time to solve the three-dimensional heat diffusion equation using Dirichlet boundary conditions. The finite difference method (FDM) is used to discretize the differential equations with a second-order accuracy central difference scheme (CDS). The algebraic equations systems are solved using the lexicographical and red-black Gauss-Seidel methods, associated with the geometric multigrid method with a correction scheme (CS) and V-cycle. Comparisons are made between two types of restriction: injection and full weighting. The used prolongation process is the trilinear interpolation. This work is concerned with the study of the influence of the smoothing value (v), number of mesh levels (L) and number of unknowns (N) on the CPU time, as well as the analysis of algorithm complexity.

Thermal control extravehicular life support system

NASA Technical Reports Server (NTRS)

1975-01-01

The results of a comprehensive study which defined an Extravehicular Life Support System Thermal Control System (TCS) are presented. The design of the prototype hardware and a detail summary of the prototype TCS fabrication and test effort are given. Several heat rejection subsystems, water management subsystems, humidity control subsystems, pressure control schemes and temperature control schemes were evaluated. Alternative integrated TCS systems were studied, and an optimum system was selected based on quantitative weighing of weight, volume, cost, complexity and other factors. The selected subsystem contains a sublimator for heat rejection, bubble expansion tank for water management, a slurper and rotary separator for humidity control, and a pump, a temperature control valve, a gas separator and a vehicle umbilical connector for water transport. The prototype hardware complied with program objectives.

High-order scheme for the source-sink term in a one-dimensional water temperature model

PubMed Central

Jing, Zheng; Kang, Ling

2017-01-01

The source-sink term in water temperature models represents the net heat absorbed or released by a water system. This term is very important because it accounts for solar radiation that can significantly affect water temperature, especially in lakes. However, existing numerical methods for discretizing the source-sink term are very simplistic, causing significant deviations between simulation results and measured data. To address this problem, we present a numerical method specific to the source-sink term. A vertical one-dimensional heat conduction equation was chosen to describe water temperature changes. A two-step operator-splitting method was adopted as the numerical solution. In the first step, using the undetermined coefficient method, a high-order scheme was adopted for discretizing the source-sink term. In the second step, the diffusion term was discretized using the Crank-Nicolson scheme. The effectiveness and capability of the numerical method was assessed by performing numerical tests. Then, the proposed numerical method was applied to a simulation of Guozheng Lake (located in central China). The modeling results were in an excellent agreement with measured data. PMID:28264005

High-order scheme for the source-sink term in a one-dimensional water temperature model.

PubMed

Jing, Zheng; Kang, Ling

2017-01-01

The source-sink term in water temperature models represents the net heat absorbed or released by a water system. This term is very important because it accounts for solar radiation that can significantly affect water temperature, especially in lakes. However, existing numerical methods for discretizing the source-sink term are very simplistic, causing significant deviations between simulation results and measured data. To address this problem, we present a numerical method specific to the source-sink term. A vertical one-dimensional heat conduction equation was chosen to describe water temperature changes. A two-step operator-splitting method was adopted as the numerical solution. In the first step, using the undetermined coefficient method, a high-order scheme was adopted for discretizing the source-sink term. In the second step, the diffusion term was discretized using the Crank-Nicolson scheme. The effectiveness and capability of the numerical method was assessed by performing numerical tests. Then, the proposed numerical method was applied to a simulation of Guozheng Lake (located in central China). The modeling results were in an excellent agreement with measured data.

Numerical pricing of options using high-order compact finite difference schemes

NASA Astrophysics Data System (ADS)

Tangman, D. Y.; Gopaul, A.; Bhuruth, M.

2008-09-01

We consider high-order compact (HOC) schemes for quasilinear parabolic partial differential equations to discretise the Black-Scholes PDE for the numerical pricing of European and American options. We show that for the heat equation with smooth initial conditions, the HOC schemes attain clear fourth-order convergence but fail if non-smooth payoff conditions are used. To restore the fourth-order convergence, we use a grid stretching that concentrates grid nodes at the strike price for European options. For an American option, an efficient procedure is also described to compute the option price, Greeks and the optimal exercise curve. Comparisons with a fourth-order non-compact scheme are also done. However, fourth-order convergence is not experienced with this strategy. To improve the convergence rate for American options, we discuss the use of a front-fixing transformation with the HOC scheme. We also show that the HOC scheme with grid stretching along the asset price dimension gives accurate numerical solutions for European options under stochastic volatility.

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

PubMed

Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

2013-08-15

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

Smagorinsky-type diffusion in a high-resolution GCM

NASA Astrophysics Data System (ADS)

Schaefer-Rolffs, Urs; Becker, Erich

2013-04-01

The parametrization of the (horizontal) momentum diffusion is a paramount component of a Global Circulation Model (GCM). Aside from friction in the boundary layer, a relevant fraction of kinetic energy is dissipated in the free atmosphere, and it is known that a linear harmonic turbulence model is not sufficient to obtain a reasonable simulation of the kinetic energy spectrum. Therefore, often empirical hyper-diffusion schemes are employed, regardless of disadvantages like the violation of energy conservation and the second law of thermodynamics. At IAP we have developed an improved parametrization of the horizontal diffusion that is based on Smagorinsky's nonlinear and energy conservation formulation. This approach is extended by the dynamic Smagorinsky model (DSM) of M. Germano. In this new scheme, the mixing length is no longer a prescribed parameter but calculated dynamically from the resolved flow such as to preserve scale invariance for the horizontal energy cascade. The so-called Germano identity is solved by a tensor norm ansatz which yields a positive definite frictional heating. We present results from an investigation using the DSM as a parametrization of horizontal diffusion in a high-resolution version of the Kühlungborn Mechanistic general Circulation Model (KMCM) with spectral truncation at horizontal wavenumber 330. The DSM calculates the Smagorinsky parameter cS independent from the resolution scale. We find that this method yields an energy spectrum that exhibits a pronounced transition from a synoptic -3 to a mesoscale -5-3 slope at wavenumbers around 50. At the highest wavenumber end, a behaviour similar to that often obtained by tuning the hyper-diffusion is achieved self-consistently. This result is very sensitive to the explicit choice of the test filter in the DSM.

Analysis of Three-dimension Viscous Flow in the Model Axial Compressor Stage K1002L

NASA Astrophysics Data System (ADS)

Tribunskaia, K.; Kozhukhov, Y. V.

2017-08-01

The main investigation subject considered in this paper is axial compressor model stage K1002L. Three simulation models were designed: Scheme 1 - inlet stage model consisting of IGV (Inlet Guide Vane), rotor and diffuser; Scheme 2 - two-stage model: IGV, first-stage rotor, first-stage diffuser, second-stage rotor, EGV (Exit Guide Vane); Scheme 3 - full-round model: IGV, rotor, diffuser. Numerical investigation of the model stage was held for four circumferential velocities at the outer diameter (Uout=125,160,180,210 m/s) within the range of flow coefficient: ϕ = 0.4 - 0.6. The computational domain was created with ANSYS CFX Workbench. According to simulation results, there were constructed aerodynamic characteristic curves of adiabatic efficiency and the adiabatic head coefficient calculated for total parameters were compared with data from the full-scale test received at the Central Boiler and Turbine Institution (CBTI), thus, verification of the calculated data was carried out. Moreover, there were conducted the following studies: comparison of aerodynamic characteristics of the schemes 1, 2; comparison of the sector and full-round models. The analysis and conclusions are supplemented by gas-dynamic method calculation for axial compressor stages.

Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

PubMed

Seino, Junji; Nakai, Hiromi

2012-10-14

The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

Energy efficiency analysis of two-sided feed scheme of DC traction network with high asymmetry of feeders parameters

NASA Astrophysics Data System (ADS)

Abramov, E. Y.; Sopov, V. I.

2017-10-01

In a given research using the example of traction network area with high asymmetry of power supply parameters, the sequence of comparative assessment of power losses in DC traction network with parallel and traditional separated operating modes of traction substation feeders was shown. Experimental measurements were carried out under these modes of operation. The calculation data results based on statistic processing showed the power losses decrease in contact network and the increase in feeders. The changes proved to be critical ones and this demonstrates the significance of potential effects when converting traction network areas into parallel feeder operation. An analytical method of calculation the average power losses for different feed schemes of the traction network was developed. On its basis, the dependences of the relative losses were obtained by varying the difference in feeder voltages. The calculation results showed unreasonableness transition to a two-sided feed scheme for the considered traction network area. A larger reduction in the total power loss can be obtained with a smaller difference of the feeders’ resistance and / or a more symmetrical sectioning scheme of contact network.

Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies.

PubMed

Sodt, Alexander J; Mei, Ye; König, Gerhard; Tao, Peng; Steele, Ryan P; Brooks, Bernard R; Shao, Yihan

2015-03-05

In combined quantum mechanical/molecular mechanical (QM/MM) free energy calculations, it is often advantageous to have a frozen geometry for the quantum mechanical (QM) region. For such multiple-environment single-system (MESS) cases, two schemes are proposed here for estimating the polarization energy: the first scheme, termed MESS-E, involves a Roothaan step extrapolation of the self-consistent field (SCF) energy; whereas the other scheme, termed MESS-H, employs a Newton-Raphson correction using an approximate inverse electronic Hessian of the QM region (which is constructed only once). Both schemes are extremely efficient, because the expensive Fock updates and SCF iterations in standard QM/MM calculations are completely avoided at each configuration. They produce reasonably accurate QM/MM polarization energies: MESS-E can predict the polarization energy within 0.25 kcal/mol in terms of the mean signed error for two of our test cases, solvated methanol and solvated β-alanine, using the M06-2X or ωB97X-D functionals; MESS-H can reproduce the polarization energy within 0.2 kcal/mol for these two cases and for the oxyluciferin-luciferase complex, if the approximate inverse electronic Hessians are constructed with sufficient accuracy.

VUV Dissociative Photoionization of Quinoline in the 7-26 eV Photon Energy Range

NASA Astrophysics Data System (ADS)

Leach, Sydney; Jochims, Hans-Werner; Baumgärtel, Helmut; Champion, Norbert

2018-05-01

The dissociative photoionization of quinoline was studied by photoionization mass spectrometry and ion yield measurements over a synchrotron photon excitation energy range 7-26 eV. The ionic and neutral products were identified with the aid of thermochemical calculations that, in some cases, led to deeper understanding of photodissociation pathways and the determination of upper limits of heats of formation of ionic and neutral dissociation products. A detailed comparison between the 20 eV photon excitation and 70 eV electron impact mass spectra, coupled with estimation of thermochemical appearance energies, leads to assignment of the dissociative ionization cation and neutral products for each detected ion. Reaction schemes for formation of these products are proposed in a number of cases. Ion intensities in the photon and electron impact mass spectra were used to consider extending a rule of charge retention in simple bond cleavage to more complex cases of dissociative ionization.

Comparison between observed and calculated distributions of trace species in the middle atmosphere

NASA Technical Reports Server (NTRS)

Brasseur, G.; Derudder, A.

1989-01-01

The purpose is to identify major discrepancies between empirical models and theoretical models and to stress the need for additional observations in the atmosphere and for further laboratory work, since these differences suggest either problems associated with observation techniques or errors in chemical kinetics data (or the existence of unknown processes which appear to play an important role). The model used for this investigation extends from the earth's surface to the lower thermosphere. It includes the important chemical and photochemical processes related to the oxygen, hydrogen, carbon, nitrogen and chlorine families. The chemical code is coupled with a radiative scheme which provides the heating rate due to absorption of solar radiation by ozone and the cooling rate due to the emission and absorption of terrestrial radiation by CO2, H2O and O3. The vertical transport of the species is expressed by an eddy diffusion parameterization.

Numerical simulation of aerothermal loads in hypersonic engine inlets due to shock impingement

NASA Technical Reports Server (NTRS)

Ramakrishnan, R.

1992-01-01

The effect of shock impingement on an axial corner simulating the inlet of a hypersonic vehicle engine is modeled using a finite-difference procedure. A three-dimensional dynamic grid adaptation procedure is utilized to move the grids to regions with strong flow gradients. The adaptation procedure uses a grid relocation stencil that is valid at both the interior and boundary points of the finite-difference grid. A linear combination of spatial derivatives of specific flow variables, calculated with finite-element interpolation functions, are used as adaptation measures. This computational procedure is used to study laminar and turbulent Mach 6 flows in the axial corner. The description of flow physics and qualitative measures of heat transfer distributions on cowl and strut surfaces obtained from the analysis are compared with experimental observations. Conclusions are drawn regarding the capability of the numerical scheme for enhanced modeling of high-speed compressible flows.

The effect of photochemical models on calculated equilibria and cooling rates in the stratosphere

NASA Technical Reports Server (NTRS)

Blake, D.; Lindzen, R. S.

1973-01-01

Simplified models were developed for radiative heating and cooling and for ozone photochemistry in the region 22-60 km. The latter permit the inclusion of nitrogen and hydrogen reactions in addition to simple oxygen reactions. The simplicity of the scheme facilitates the use of a wide variety of cooling and reaction rates. It is shown that joint radiative-photochemical equilibrium is appropriate to the mean state of the atmosphere between 35 and 60 km. The relaxation of perturbations from joint radiative-photochemical equilibrium was also investigated. In all cases the coupling between temperature dependent ozone photochemistry and radiation lead to a reduction of the thermal relaxation time from its purely radiative value. The latter, which amounts to about 10 days, is reduced to 2-4 days at heights of 31-35 km. This greatly enhances the dissipation of waves traveling through the stratosphere.

Effect of Convection on Weld Pool Shape and Microstructure.

DTIC Science & Technology

1986-07-01

latent heat of fusion 11 u dynamic viscosity Iwo V kinematic viscosity P density a Stefan -Boltzman constant stress tensor 0, functions defined the...and temperature. The convections for velocities and temperature are based on a mixed Gauss- -* Seidel and Jacobi schemes, proceeding from line-to...line according to the Gauss- Seidel scheme, updating values as each line is completed. With each line, however, the point-by-point iteration is based on

Nonlinear Gravitational and Radiation Aspects in Nanoliquid with Exponential Space Dependent Heat Source and Variable Viscosity

NASA Astrophysics Data System (ADS)

Gireesha, B. J.; Kumar, P. B. Sampath; Mahanthesh, B.; Shehzad, S. A.; Abbasi, F. M.

2018-05-01

The nonlinear convective flow of kerosene-Alumina nanoliquid subjected to an exponential space dependent heat source and temperature dependent viscosity is investigated here. This study is focuses on augmentation of heat transport rate in liquid propellant rocket engine. The kerosene-Alumina nanoliquid is considered as the regenerative coolant. Aspects of radiation and viscous dissipation are also covered. Relevant nonlinear system is solved numerically via RK based shooting scheme. Diverse flow fields are computed and examined for distinct governing variables. We figured out that the nanoliquid's temperature increased due to space dependent heat source and radiation aspects. The heat transfer rate is higher in case of changeable viscosity than constant viscosity.

Nonlinear Gravitational and Radiation Aspects in Nanoliquid with Exponential Space Dependent Heat Source and Variable Viscosity

NASA Astrophysics Data System (ADS)

Gireesha, B. J.; Kumar, P. B. Sampath; Mahanthesh, B.; Shehzad, S. A.; Abbasi, F. M.

2018-02-01

The nonlinear convective flow of kerosene-Alumina nanoliquid subjected to an exponential space dependent heat source and temperature dependent viscosity is investigated here. This study is focuses on augmentation of heat transport rate in liquid propellant rocket engine. The kerosene-Alumina nanoliquid is considered as the regenerative coolant. Aspects of radiation and viscous dissipation are also covered. Relevant nonlinear system is solved numerically via RK based shooting scheme. Diverse flow fields are computed and examined for distinct governing variables. We figured out that the nanoliquid's temperature increased due to space dependent heat source and radiation aspects. The heat transfer rate is higher in case of changeable viscosity than constant viscosity.

Mathematical modeling of high and low temperature heat pipes

NASA Technical Reports Server (NTRS)

Chi, S. W.

1971-01-01

Following a review of heat and mass transfer theory relevant to heat pipe performance, math models are developed for calculating heat-transfer limitations of high-temperature heat pipes and heat-transfer limitations and temperature gradient of low temperature heat pipes. Calculated results are compared with the available experimental data from various sources to increase confidence in the present math models. Complete listings of two computer programs for high- and low-temperature heat pipes respectively are included. These programs enable the performance to be predicted of heat pipes with wrapped-screen, rectangular-groove, or screen-covered rectangular-groove wick.

Application of Intel Many Integrated Core (MIC) accelerators to the Pleim-Xiu land surface scheme

NASA Astrophysics Data System (ADS)

Huang, Melin; Huang, Bormin; Huang, Allen H.

2015-10-01

The land-surface model (LSM) is one physics process in the weather research and forecast (WRF) model. The LSM includes atmospheric information from the surface layer scheme, radiative forcing from the radiation scheme, and precipitation forcing from the microphysics and convective schemes, together with internal information on the land's state variables and land-surface properties. The LSM is to provide heat and moisture fluxes over land points and sea-ice points. The Pleim-Xiu (PX) scheme is one LSM. The PX LSM features three pathways for moisture fluxes: evapotranspiration, soil evaporation, and evaporation from wet canopies. To accelerate the computation process of this scheme, we employ Intel Xeon Phi Many Integrated Core (MIC) Architecture as it is a multiprocessor computer structure with merits of efficient parallelization and vectorization essentials. Our results show that the MIC-based optimization of this scheme running on Xeon Phi coprocessor 7120P improves the performance by 2.3x and 11.7x as compared to the original code respectively running on one CPU socket (eight cores) and on one CPU core with Intel Xeon E5-2670.

Satellite radiothermovision of atmospheric mesoscale processes: case study of tropical cyclones

NASA Astrophysics Data System (ADS)

Ermakov, D. M.; Sharkov, E. A.; Chernushich, A. P.

2015-04-01

Satellite radiothermovision is a set of processing techniques applicable for multisource data of radiothermal monitoring of oceanatmosphere system, which allows creating dynamic description of mesoscale and synoptic atmospheric processes and estimating physically meaningful integral characteristics of the observed processes (like avdective flow of the latent heat through a given border). The approach is based on spatiotemporal interpolation of the satellite measurements which allows reconstructing the radiothermal fields (as well as the fields of geophysical parameters) of the ocean-atmosphere system at global scale with spatial resolution of about 0.125° and temporal resolution of 1.5 hour. The accuracy of spatiotemporal interpolation was estimated by direct comparison of interpolated data with the data of independent asynchronous measurements and was shown to correspond to the best achievable as reported in literature (for total precipitable water fields the accuracy is about 0.8 mm). The advantages of the implemented interpolation scheme are: closure under input radiothermal data, homogeneity in time scale (all data are interpolated through the same time intervals), automatic estimation of both the intermediate states of scalar field of the studied geophysical parameter and of vector field of effective velocity of advection (horizontal movements). Using this pair of fields one can calculate the flow of a given geophysical quantity though any given border. For example, in case of total precipitable water field, this flow (under proper calibration) has the meaning of latent heat advective flux. This opportunity was used to evaluate the latent heat flux though a set of circular contours, enclosing a tropical cyclone and drifting with it during its evolution. A remarkable interrelation was observed between the calculated magnitude and sign of advective latent flux and the intensity of a tropical cyclone. This interrelation is demonstrated in several examples of hurricanes and tropical cyclones of August, 2000, and typhoons of November, 2013, including super typhoon Haiyan.

Revisiting the latent heat nudging scheme for the rainfall assimilation of a simulated convective storm

NASA Astrophysics Data System (ADS)

Leuenberger, D.; Rossa, A.

2007-12-01

Next-generation, operational, high-resolution numerical weather prediction models require economical assimilation schemes for radar data. In the present study we evaluate and characterise the latent heat nudging (LHN) rainfall assimilation scheme within a meso-γ scale NWP model in the framework of identical twin simulations of an idealised supercell storm. Consideration is given to the model’s dynamical response to the forcing as well as to the sensitivity of the LHN scheme to uncertainty in the observations and the environment. The results indicate that the LHN scheme is well able to capture the dynamical structure and the right rainfall amount of the storm in a perfect environment. This holds true even in degraded environments but a number of important issues arise. In particular, changes in the low-level humidity field are found to affect mainly the precipitation amplitude during the assimilation with a fast adaptation of the storm to the system dynamics determined by the environment during the free forecast. A constant bias in the environmental wind field, on the other hand, has the potential to render a successful assimilation with the LHN scheme difficult, as the velocity of the forcing is not consistent with the system propagation speed determined by the wind. If the rainfall forcing moves too fast, the system propagation is supported and the assimilated storm and forecasts initialised therefrom develop properly. A too slow forcing, on the other hand, can decelerate the system and eventually disturb the system dynamics by decoupling the low-level moisture inflow from the main updrafts during the assimilation. This distortion is sustained in the free forecast. It has further been found that a sufficient temporal resolution of the rainfall input is crucial for the successful assimilation of a fast moving, coherent convective storm and that the LHN scheme, when applied to a convective storm, appears to necessitate a careful tuning.

Spectrum efficient distance-adaptive paths for fixed and fixed-alternate routing in elastic optical networks

NASA Astrophysics Data System (ADS)

Agrawal, Anuj; Bhatia, Vimal; Prakash, Shashi

2018-01-01

Efficient utilization of spectrum is a key concern in the soon to be deployed elastic optical networks (EONs). To perform routing in EONs, various fixed routing (FR), and fixed-alternate routing (FAR) schemes are ubiquitously used. FR, and FAR schemes calculate a fixed route, and a prioritized list of a number of alternate routes, respectively, between different pairs of origin o and target t nodes in the network. The route calculation performed using FR and FAR schemes is predominantly based on either the physical distance, known as k -shortest paths (KSP), or on the hop count (HC). For survivable optical networks, FAR usually calculates link-disjoint (LD) paths. These conventional routing schemes have been efficiently used for decades in communication networks. However, in this paper, it has been demonstrated that these commonly used routing schemes cannot utilize the network spectral resources optimally in the newly introduced EONs. Thus, we propose a new routing scheme for EON, namely, k -distance adaptive paths (KDAP) that efficiently utilizes the benefit of distance-adaptive modulation, and bit rate-adaptive superchannel capability inherited by EON to improve spectrum utilization. In the proposed KDAP, routes are found and prioritized on the basis of bit rate, distance, spectrum granularity, and the number of links used for a particular route. To evaluate the performance of KSP, HC, LD, and the proposed KDAP, simulations have been performed for three different sized networks, namely, 7-node test network (TEST7), NSFNET, and 24-node US backbone network (UBN24). We comprehensively assess the performance of various conventional, and the proposed routing schemes by solving both the RSA and the dual RSA problems under homogeneous and heterogeneous traffic requirements. Simulation results demonstrate that there is a variation amongst the performance of KSP, HC, and LD, depending on the o - t pair, and the network topology and its connectivity. However, the proposed KDAP always performs better for all the considered networks and traffic scenarios, as compared to the conventional routing schemes, namely, KSP, HC, and LD. The proposed KDAP achieves up to 60 % , and 10.46 % improvement in terms of spectrum utilization, and resource utilization ratio, respectively, over the conventional routing schemes.

Peridynamic thermal diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oterkus, Selda; Madenci, Erdogan, E-mail: madenci@email.arizona.edu; Agwai, Abigail

This study presents the derivation of ordinary state-based peridynamic heat conduction equation based on the Lagrangian formalism. The peridynamic heat conduction parameters are related to those of the classical theory. An explicit time stepping scheme is adopted for numerical solution of various benchmark problems with known solutions. It paves the way for applying the peridynamic theory to other physical fields such as neutronic diffusion and electrical potential distribution.

Effects of different eddy covariance correction schemes on energy balance closure and comparisons with the modified Bowen ratio system

Treesearch

Adam Wolf; Nick Saliendra; Kanat Akshalov; Douglas A. Johnson; Emilio Laca

2008-01-01

Eddy covariance (EC) and modified Bowen ratio (MBR) systems have been shown to yield subtly different estimates of sensible heat (H), latent heat (LE), and CO2 fluxes (Fc). Our study analyzed the discrepancies between these two systems by first considering the role of the data processing algorithm used to estimate fluxes using EC and later...

Control of Advanced Reactor-Coupled Heat Exchanger System: Incorporation of Reactor Dynamics in System Response to Load Disturbances

DOE PAGES

Skavdahl, Isaac; Utgikar, Vivek; Christensen, Richard; ...

2016-05-24

We present an alternative control schemes for an Advanced High Temperature Reactor system consisting of a reactor, an intermediate heat exchanger, and a secondary heat exchanger (SHX) in this paper. One scheme is designed to control the cold outlet temperature of the SHX (T co) and the hot outlet temperature of the intermediate heat exchanger (T ho2) by manipulating the hot-side flow rates of the heat exchangers (F h/F h2) responding to the flow rate and temperature disturbances. The flow rate disturbances typically require a larger manipulation of the flow rates than temperature disturbances. An alternate strategy examines the controlmore » of the cold outlet temperature of the SHX (T co) only, since this temperature provides the driving force for energy production in the power conversion unit or the process application. The control can be achieved by three options: (1) flow rate manipulation; (2) reactor power manipulation; or (3) a combination of the two. The first option has a quicker response but requires a large flow rate change. The second option is the slowest but does not involve any change in the flow rates of streams. The final option appears preferable as it has an intermediate response time and requires only a minimal flow rate change.« less

On the critical charge required for positive leader inception in long air gaps

NASA Astrophysics Data System (ADS)

Liu, Lipeng; Becerra, Marley

2018-01-01

The amount of the electric charge injected by the streamer corona bursts during the stage of leader inception determines the energy deposited to thermalize the corona stem into a leader segment. This paper is aimed at investigating the critical charge required for positive leader inception in air by using a thermo-hydrodynamic model with a detailed kinetic scheme. In order to simplify the analysis and to speed up the simulation, a reduced kinetic scheme for air is proposed. Numerical comparisons show that the reduced scheme can obtain almost the same results as the previous comprehensive kinetic scheme but with only half of the number of species and reactions. The thermo-hydrodynamic model with the reduced kinetics is then used to solve the radial dynamics of a single stem heated by current pulses typical of streamer corona bursts. The critical charge necessary for the direct transition of a first streamer corona into a leader under electrodes with large curvature radius is estimated between 0.08 and 0.5 µC per stem. Furthermore, the simulation shows that the gas heating of corona stem formed from electrodes with small curvature radius is mainly determined by the total accumulated charge injected by previous streamer corona bursts and the length of the dark periods in between the current pulses. The shape and the number of the corona current pulses in the discharge also play a role and their effects are discussed. It is suggested that the transition into a leader is triggered when a secondary streamer burst is initiated after the gas temperature is increased by the heating of previous streamers to about 1200 K. In addition, it is found that the heating produced by the charge injected by previous streamer corona bursts can be neglected if the dark period to the next burst is larger than few hundreds of µs for a corona stem with moderate initial stem radius. This indicates that the critical charge criterion obtained from laboratory experiments does not hold to evaluate the inception of positive leaders under conditions when long dark periods are present.

40 CFR 75.71 - Specific provisions for monitoring NOX and heat input for the purpose of calculating NOX mass...

Code of Federal Regulations, 2010 CFR

2010-07-01

... and heat input for the purpose of calculating NOX mass emissions. 75.71 Section 75.71 Protection of... MONITORING NOX Mass Emissions Provisions § 75.71 Specific provisions for monitoring NOX and heat input for the purpose of calculating NOX mass emissions. (a) Coal-fired units. The owner or operator of a coal...

Economics of installation of solar heating plants

NASA Astrophysics Data System (ADS)

Popel, O. S.; Frid, S. Y.; Shpiltayn, E. E.

1984-04-01

An engineering-economic analysis of solar heating plants for determination of their cost effectiveness involves calculating the maximum economically feasibile extra capital investment on their installation and calculating the fraction of the total heat demand covered by such a plant which makes replacement of conventional heating plant maximally economical. The annual economic effect of solar heating is calculated in terms of normalized cost differential, as criterion for its competitiveness with conventional heating. Plant performance characteristics, namely dependence of both the percent demand coverage and the annual cost differential on the area of solar radiation collectors is then considered. Analysis of the cost equation, assuming that the extra fixed cost is proportional to the collector area, reveals the necessary and sufficient condition for decrease of annual operating cost.

Embedded-atom-method interatomic potentials from lattice inversion.

PubMed

Yuan, Xiao-Jian; Chen, Nan-Xian; Shen, Jiang; Hu, Wangyu

2010-09-22

The present work develops a physically reliable procedure for building the embedded-atom-method (EAM) interatomic potentials for the metals with fcc, bcc and hcp structures. This is mainly based on Chen-Möbius lattice inversion (Chen et al 1997 Phys. Rev. E 55 R5) and first-principles calculations. Following Baskes (Baskes et al 2007 Phys. Rev. B 75 094113), this new version of the EAM eliminates all of the prior arbitrary choices in the determination of the atomic electron density and pair potential functions. Parameterizing the universal form deduced from the calculations within the density-functional scheme for homogeneous electron gas as the embedding function, the new-type EAM potentials for Cu, Fe and Ti metals have successfully been constructed by considering interatomic interactions up to the fifth neighbor, the third neighbor and the seventh neighbor, respectively. The predictions of elastic constants, structural energy difference, vacancy formation energy and migration energy, activation energy of vacancy diffusion, latent heat of melting and relative volume change on melting all satisfactorily agree with the experimental results available or first-principles calculations. The predicted surface energies for low-index crystal faces and the melting point are in agreement with the experimental data to the same extent as those calculated by other EAM-type potentials such as the FBD-EAM, 2NN MEAM and MS-EAM. In addition, the order among the predicted low-index surface energies is also consistent with the experimental information.

Effect of electronic excitation on high-temperature flows behind strong shock waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Istomin, V. A.; Kustova, E. V.

2014-12-09

In the present paper, a strongly non-equilibrium one-dimensional steady-state flow behind the plane shock wave is studied. We consider a high-temperature chemically reacting five-component ionized mixture of nitrogen species (N{sub 2}/N{sub 2}{sup 2}/N/N{sup +}/e{sup −}) taking into account electronic degrees of freedom in N and N{sup +} (170 and 625 electronic energy levels respectively), and electronic-rotational-vibrational modes in N{sub 2} and N{sub 2}{sup +} (5 and 7 electronic terms). Non-equilibrium reactions of ionization, dissociation, recombination and charge-transfer are included to the kinetic scheme. The system of governing equations is written under the assumption that translation and internal energy relaxation ismore » fast whereas chemical reactions and ionization proceed on the macroscopic gas-dynamics time-scale. The developed model is applied to simulate the flow behind a plane shock wave under initial conditions characteristic for the spacecraft re-entry from an interplanetary flight (Hermes and Fire II experiments). Fluid-dynamic parameters behind the shock wave as well as transport coefficients and the heat flux are calculated for the (N{sub 2}/N{sub 2}{sup +}/N/N{sup +}/e{sup −}) mixture. The effect of electronic excitation on kinetics, dynamics and heat transfer is analyzed. Whereas the contribution of electronic degrees of freedom to the flow macroparameters is negligible, their influence on the heat flux is found to be important under conditions of Hermes re-entry.« less

Influence of SST anomalies in low latitudes on atmospheric heat transport to the Arctic

NASA Astrophysics Data System (ADS)

Alekseev, Genrikh; Kuzmina, Svetlana; Glok, Natalia

2017-04-01

The purpose of the study is to assess the influence of SST anomalies in the low latitudes of the Atlantic, Indian and Pacific oceans to climatic change of the winter atmospheric meridional heat transport (MAHT) to the Arctic and to propose the mechanisms of this influence. Estimates of sensible and latent heat transport to the Arctic through the "Atlantic Gate" at 70 ° N in winter (December-February) 1980-2015 fulfilled on base ERA / Interim and monthly SST from HadISST were used. Multi-dimensional cross-correlation analysis was applied. The area and month in each ocean were found with maximal correlations between SST and winter MAHT. Mean SST in selected areas for each month of 1980-2015 were calculated and its correlations with MAHT were estimated. The correlation coefficients equal from 0.57 to 0.42, and after removing the noise increased up to 0.75 with MAHT lag from 27 to 30 months. The SST and MAHT series include together with positive trend the 5-7 years fluctuations. The mechanism of SST anomalies influence on winter MAHT to the Arctic includes the interaction of atmospheric (Hadley and Ferrel circulations, jet streams, NAO) and oceanic (Gulf Stream, the North Atlantic, the Norwegian currents) circulation patterns. To justify the proposed scheme the evaluation of the links between SST anomalies, the NAO index, the Atlantic water inflow to the Barents Sea, are investigated. The study is supported with RFBR project 15-05-03512.

Monte Carlo calculation model for heat radiation of inclined cylindrical flames and its application

NASA Astrophysics Data System (ADS)

Chang, Zhangyu; Ji, Jingwei; Huang, Yuankai; Wang, Zhiyi; Li, Qingjie

2017-07-01

Based on Monte Carlo method, a calculation model and its C++ calculating program for radiant heat transfer from an inclined cylindrical flame are proposed. In this model, the total radiation energy of the inclined cylindrical flame is distributed equally among a certain number of energy beams, which are emitted randomly from the flame surface. The incident heat flux on a surface is calculated by counting the number of energy beams which could reach the surface. The paper mainly studies the geometrical evaluation criterion for validity of energy beams emitted by inclined cylindrical flames and received by other surfaces. Compared to Mudan's formula results for a straight cylinder or a cylinder with 30° tilt angle, the calculated view factors range from 0.0043 to 0.2742 and the predicted view factors agree well with Mudan's results. The changing trend and values of incident heat fluxes computed by the model is consistent with experimental data measured by Rangwala et al. As a case study, incident heat fluxes on a gasoline tank, both the side and the top surface are calculated by the model. The heat radiation is from an inclined cylindrical flame generated by another 1000 m3 gasoline tank 4.6 m away from it. The cone angle of the flame to the adjacent oil tank is 45° and the polar angle is 0°. The top surface and the side surface of the tank are divided into 960 and 5760 grids during the calculation, respectively. The maximum incident heat flux on the side surface is 39.64 and 51.31 kW/m2 on the top surface. Distributions of the incident heat flux on the surface of the oil tank and on the ground around the fire tank are obtained, too.

Conjugate gradient heat bath for ill-conditioned actions.

PubMed

Ceriotti, Michele; Bussi, Giovanni; Parrinello, Michele

2007-08-01

We present a method for performing sampling from a Boltzmann distribution of an ill-conditioned quadratic action. This method is based on heat-bath thermalization along a set of conjugate directions, generated via a conjugate-gradient procedure. The resulting scheme outperforms local updates for matrices with very high condition number, since it avoids the slowing down of modes with lower eigenvalue, and has some advantages over the global heat-bath approach, compared to which it is more stable and allows for more freedom in devising case-specific optimizations.

A new formal graphic language for the representation of complex energy distribution systems

NASA Astrophysics Data System (ADS)

Benes, E.; Viehboeck, F. P.

A schematic notation system for the representation in design and analysis of multi-component heating systems is presented. This graphic language is clear and rigorous and allows quick changes between two basic levels of abstraction, as shown by two examples: a swimming pool with combined solar/electric heating system and the low temperature heating system of the Institute of Molecular Biology in Salzburg, Austria. The notation's 'energy path graphs' are more adequate for judging the relative merits of alternative system configurations than commonly used simplified installation schemes.

Multi-GPU hybrid programming accelerated three-dimensional phase-field model in binary alloy

NASA Astrophysics Data System (ADS)

Zhu, Changsheng; Liu, Jieqiong; Zhu, Mingfang; Feng, Li

2018-03-01

In the process of dendritic growth simulation, the computational efficiency and the problem scales have extremely important influence on simulation efficiency of three-dimensional phase-field model. Thus, seeking for high performance calculation method to improve the computational efficiency and to expand the problem scales has a great significance to the research of microstructure of the material. A high performance calculation method based on MPI+CUDA hybrid programming model is introduced. Multi-GPU is used to implement quantitative numerical simulations of three-dimensional phase-field model in binary alloy under the condition of multi-physical processes coupling. The acceleration effect of different GPU nodes on different calculation scales is explored. On the foundation of multi-GPU calculation model that has been introduced, two optimization schemes, Non-blocking communication optimization and overlap of MPI and GPU computing optimization, are proposed. The results of two optimization schemes and basic multi-GPU model are compared. The calculation results show that the use of multi-GPU calculation model can improve the computational efficiency of three-dimensional phase-field obviously, which is 13 times to single GPU, and the problem scales have been expanded to 8193. The feasibility of two optimization schemes is shown, and the overlap of MPI and GPU computing optimization has better performance, which is 1.7 times to basic multi-GPU model, when 21 GPUs are used.

CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

PubMed

Duan, Yuhua; Sorescu, Dan C

2010-08-21

By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents.

Failure analysis of storage tank component in LNG regasification unit using fault tree analysis method (FTA)

NASA Astrophysics Data System (ADS)

Mulyana, Cukup; Muhammad, Fajar; Saad, Aswad H.; Mariah, Riveli, Nowo

2017-03-01

Storage tank component is the most critical component in LNG regasification terminal. It has the risk of failure and accident which impacts to human health and environment. Risk assessment is conducted to detect and reduce the risk of failure in storage tank. The aim of this research is determining and calculating the probability of failure in regasification unit of LNG. In this case, the failure is caused by Boiling Liquid Expanding Vapor Explosion (BLEVE) and jet fire in LNG storage tank component. The failure probability can be determined by using Fault Tree Analysis (FTA). Besides that, the impact of heat radiation which is generated is calculated. Fault tree for BLEVE and jet fire on storage tank component has been determined and obtained with the value of failure probability for BLEVE of 5.63 × 10-19 and for jet fire of 9.57 × 10-3. The value of failure probability for jet fire is high enough and need to be reduced by customizing PID scheme of regasification LNG unit in pipeline number 1312 and unit 1. The value of failure probability after customization has been obtained of 4.22 × 10-6.

Quantifying shallow subsurface water and heat dynamics using coupled hydrological-thermal-geophysical inversion

DOE PAGES

Tran, Anh Phuong; Dafflon, Baptiste; Hubbard, Susan S.; ...

2016-04-25

Improving our ability to estimate the parameters that control water and heat fluxes in the shallow subsurface is particularly important due to their strong control on recharge, evaporation and biogeochemical processes. The objectives of this study are to develop and test a new inversion scheme to simultaneously estimate subsurface hydrological, thermal and petrophysical parameters using hydrological, thermal and electrical resistivity tomography (ERT) data. The inversion scheme-which is based on a nonisothermal, multiphase hydrological model-provides the desired subsurface property estimates in high spatiotemporal resolution. A particularly novel aspect of the inversion scheme is the explicit incorporation of the dependence of themore » subsurface electrical resistivity on both moisture and temperature. The scheme was applied to synthetic case studies, as well as to real datasets that were autonomously collected at a biogeochemical field study site in Rifle, Colorado. At the Rifle site, the coupled hydrological-thermal-geophysical inversion approach well predicted the matric potential, temperature and apparent resistivity with the Nash-Sutcliffe efficiency criterion greater than 0.92. Synthetic studies found that neglecting the subsurface temperature variability, and its effect on the electrical resistivity in the hydrogeophysical inversion, may lead to an incorrect estimation of the hydrological parameters. The approach is expected to be especially useful for the increasing number of studies that are taking advantage of autonomously collected ERT and soil measurements to explore complex terrestrial system dynamics.« less

Development of a Direct Contact Heat Exchanger, Phase 1 Study Report

NASA Technical Reports Server (NTRS)

Manvi, R.

1978-01-01

Electric power generation from geothermal brine requires, first, bringing the hot brine to the surface and then converting the heat to electric power. Binary conversion schemes were proposed, with the heat transfer between the brine and the working organic fluid taking place in a conventional tube and shell heat exchanger. If the brine is heavily laden with dissolved solids, however, solids buildup on the heat exchanger surfaces leads to a considerable degree of fouling and an accompanying drop in performance is experienced. A possible solution to this problem is the use of a direct contact exchanger with the secondary fluid power cycle. The proposed concept involves the formation of fluid sheets and bells as heat angles. Results of a study concerning the fluid mechanics of such surfaces are given.

HARM: A Numerical Scheme for General Relativistic Magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Gammie, Charles, F.; McKinney, Jonathan C.; Tóth, Gábor

2012-09-01

HARM uses a conservative, shock-capturing scheme for evolving the equations of general relativistic magnetohydrodynamics. The fluxes are calculated using the Harten, Lax, & van Leer scheme. A variant of constrained transport, proposed earlier by Tóth, is used to maintain a divergence-free magnetic field. Only the covariant form of the metric in a coordinate basis is required to specify the geometry. On smooth flows HARM converges at second order.

Thermal diffusivity measurement in thin metallic filaments using the mirage method with multiple probe beams and a digital camera

NASA Astrophysics Data System (ADS)

Vargas, E.; Cifuentes, A.; Alvarado, S.; Cabrera, H.; Delgado, O.; Calderón, A.; Marín, E.

2018-02-01

Photothermal beam deflection is a well-established technique for measuring thermal diffusivity. In this technique, a pump laser beam generates temperature variations on the surface of the sample to be studied. These variations transfer heat to the surrounding medium, which may be air or any other fluid. The medium in turn experiences a change in the refractive index, which will be proportional to the temperature field on the sample surface when the distance to this surface is small. A probe laser beam will suffer a deflection due to the refractive index periodical changes, which is usually monitored by means of a quadrant photodetector or a similar device aided by lock-in amplification. A linear relationship that arises in this technique is that given by the phase lag of the thermal wave as a function of the distance to a punctual heat source when unidimensional heat diffusion can be guaranteed. This relationship is useful in the calculation of the sample's thermal diffusivity, which can be obtained straightforwardly by the so-called slope method, if the pump beam modulation frequency is well-known. The measurement procedure requires the experimenter to displace the probe beam at a given distance from the heat source, measure the phase lag at that offset, and repeat this for as many points as desired. This process can be quite lengthy in dependence of the number points. In this paper, we propose a detection scheme, which overcomes this limitation and simplifies the experimental setup using a digital camera that substitutes all detection hardware utilizing motion detection techniques and software digital signal lock-in post-processing. In this work, the method is demonstrated using thin metallic filaments as samples.

Thermal diffusivity measurement in thin metallic filaments using the mirage method with multiple probe beams and a digital camera.

PubMed

Vargas, E; Cifuentes, A; Alvarado, S; Cabrera, H; Delgado, O; Calderón, A; Marín, E

2018-02-01

Photothermal beam deflection is a well-established technique for measuring thermal diffusivity. In this technique, a pump laser beam generates temperature variations on the surface of the sample to be studied. These variations transfer heat to the surrounding medium, which may be air or any other fluid. The medium in turn experiences a change in the refractive index, which will be proportional to the temperature field on the sample surface when the distance to this surface is small. A probe laser beam will suffer a deflection due to the refractive index periodical changes, which is usually monitored by means of a quadrant photodetector or a similar device aided by lock-in amplification. A linear relationship that arises in this technique is that given by the phase lag of the thermal wave as a function of the distance to a punctual heat source when unidimensional heat diffusion can be guaranteed. This relationship is useful in the calculation of the sample's thermal diffusivity, which can be obtained straightforwardly by the so-called slope method, if the pump beam modulation frequency is well-known. The measurement procedure requires the experimenter to displace the probe beam at a given distance from the heat source, measure the phase lag at that offset, and repeat this for as many points as desired. This process can be quite lengthy in dependence of the number points. In this paper, we propose a detection scheme, which overcomes this limitation and simplifies the experimental setup using a digital camera that substitutes all detection hardware utilizing motion detection techniques and software digital signal lock-in post-processing. In this work, the method is demonstrated using thin metallic filaments as samples.

A stable and accurate partitioned algorithm for conjugate heat transfer

NASA Astrophysics Data System (ADS)

Meng, F.; Banks, J. W.; Henshaw, W. D.; Schwendeman, D. W.

2017-09-01

We describe a new partitioned approach for solving conjugate heat transfer (CHT) problems where the governing temperature equations in different material domains are time-stepped in an implicit manner, but where the interface coupling is explicit. The new approach, called the CHAMP scheme (Conjugate Heat transfer Advanced Multi-domain Partitioned), is based on a discretization of the interface coupling conditions using a generalized Robin (mixed) condition. The weights in the Robin condition are determined from the optimization of a condition derived from a local stability analysis of the coupling scheme. The interface treatment combines ideas from optimized-Schwarz methods for domain-decomposition problems together with the interface jump conditions and additional compatibility jump conditions derived from the governing equations. For many problems (i.e. for a wide range of material properties, grid-spacings and time-steps) the CHAMP algorithm is stable and second-order accurate using no sub-time-step iterations (i.e. a single implicit solve of the temperature equation in each domain). In extreme cases (e.g. very fine grids with very large time-steps) it may be necessary to perform one or more sub-iterations. Each sub-iteration generally increases the range of stability substantially and thus one sub-iteration is likely sufficient for the vast majority of practical problems. The CHAMP algorithm is developed first for a model problem and analyzed using normal-mode theory. The theory provides a mechanism for choosing optimal parameters in the mixed interface condition. A comparison is made to the classical Dirichlet-Neumann (DN) method and, where applicable, to the optimized-Schwarz (OS) domain-decomposition method. For problems with different thermal conductivities and diffusivities, the CHAMP algorithm outperforms the DN scheme. For domain-decomposition problems with uniform conductivities and diffusivities, the CHAMP algorithm performs better than the typical OS scheme with one grid-cell overlap. The CHAMP scheme is also developed for general curvilinear grids and CHT examples are presented using composite overset grids that confirm the theory and demonstrate the effectiveness of the approach.

A stable and accurate partitioned algorithm for conjugate heat transfer

DOE PAGES

Meng, F.; Banks, J. W.; Henshaw, W. D.; ...

2017-04-25

We describe a new partitioned approach for solving conjugate heat transfer (CHT) problems where the governing temperature equations in different material domains are time-stepped in a implicit manner, but where the interface coupling is explicit. The new approach, called the CHAMP scheme (Conjugate Heat transfer Advanced Multi-domain Partitioned), is based on a discretization of the interface coupling conditions using a generalized Robin (mixed) condition. The weights in the Robin condition are determined from the optimization of a condition derived from a local stability analysis of the coupling scheme. The interface treatment combines ideas from optimized-Schwarz methods for domain-decomposition problems togethermore » with the interface jump conditions and additional compatibility jump conditions derived from the governing equations. For many problems (i.e. for a wide range of material properties, grid-spacings and time-steps) the CHAMP algorithm is stable and second-order accurate using no sub-time-step iterations (i.e. a single implicit solve of the temperature equation in each domain). In extreme cases (e.g. very fine grids with very large time-steps) it may be necessary to perform one or more sub-iterations. Each sub-iteration generally increases the range of stability substantially and thus one sub-iteration is likely sufficient for the vast majority of practical problems. The CHAMP algorithm is developed first for a model problem and analyzed using normal-mode the- ory. The theory provides a mechanism for choosing optimal parameters in the mixed interface condition. A comparison is made to the classical Dirichlet-Neumann (DN) method and, where applicable, to the optimized- Schwarz (OS) domain-decomposition method. For problems with different thermal conductivities and dif- fusivities, the CHAMP algorithm outperforms the DN scheme. For domain-decomposition problems with uniform conductivities and diffusivities, the CHAMP algorithm performs better than the typical OS scheme with one grid-cell overlap. Lastly, the CHAMP scheme is also developed for general curvilinear grids and CHT ex- amples are presented using composite overset grids that confirm the theory and demonstrate the effectiveness of the approach.« less

Spectral Analysis and Experimental Modeling of Ice Accretion Roughness

NASA Technical Reports Server (NTRS)

Orr, D. J.; Breuer, K. S.; Torres, B. E.; Hansman, R. J., Jr.

1996-01-01

A self-consistent scheme for relating wind tunnel ice accretion roughness to the resulting enhancement of heat transfer is described. First, a spectral technique of quantitative analysis of early ice roughness images is reviewed. The image processing scheme uses a spectral estimation technique (SET) which extracts physically descriptive parameters by comparing scan lines from the experimentally-obtained accretion images to a prescribed test function. Analysis using this technique for both streamwise and spanwise directions of data from the NASA Lewis Icing Research Tunnel (IRT) are presented. An experimental technique is then presented for constructing physical roughness models suitable for wind tunnel testing that match the SET parameters extracted from the IRT images. The icing castings and modeled roughness are tested for enhancement of boundary layer heat transfer using infrared techniques in a "dry" wind tunnel.

Transient analysis of a thermal storage unit involving a phase change material

NASA Technical Reports Server (NTRS)

Griggs, E. I.; Pitts, D. R.; Humphries, W. R.

1974-01-01

The transient response of a single cell of a typical phase change material type thermal capacitor has been modeled using numerical conductive heat transfer techniques. The cell consists of a base plate, an insulated top, and two vertical walls (fins) forming a two-dimensional cavity filled with a phase change material. Both explicit and implicit numerical formulations are outlined. A mixed explicit-implicit scheme which treats the fin implicity while treating the phase change material explicitly is discussed. A band algorithmic scheme is used to reduce computer storage requirements for the implicit approach while retaining a relatively fine grid. All formulations are presented in dimensionless form thereby enabling application to geometrically similar problems. Typical parametric results are graphically presented for the case of melting with constant heat input to the base of the cell.

Modeling of power control schemes in induction cooking devices

NASA Astrophysics Data System (ADS)

Beato, Alessio; Conti, Massimo; Turchetti, Claudio; Orcioni, Simone

2005-06-01

In recent years, with remarkable advancements of power semiconductor devices and electronic control systems, it becomes possible to apply the induction heating technique for domestic use. In order to achieve the supply power required by these devices, high-frequency resonant inverters are used: the force commutated, half-bridge series resonant converter is well suited for induction cooking since it offers an appropriate balance between complexity and performances. Power control is a key issue to attain efficient and reliable products. This paper describes and compares four power control schemes applied to the half-bridge series resonant inverter. The pulse frequency modulation is the most common control scheme: according to this strategy, the output power is regulated by varying the switching frequency of the inverter circuit. Other considered methods, originally developed for induction heating industrial applications, are: pulse amplitude modulation, asymmetrical duty cycle and pulse density modulation which are respectively based on variation of the amplitude of the input supply voltage, on variation of the duty cycle of the switching signals and on variation of the number of switching pulses. Each description is provided with a detailed mathematical analysis; an analytical model, built to simulate the circuit topology, is implemented in the Matlab environment in order to obtain the steady-state values and waveforms of currents and voltages. For purposes of this study, switches and all reactive components are modelled as ideal and the "heating-coil/pan" system is represented by an equivalent circuit made up of a series connected resistance and inductance.

Future changes in precipitation of the baiu season under RCP scenarios

NASA Astrophysics Data System (ADS)

Okada, Y.; Takemi, T.; Ishikawa, H.

2014-12-01

Recently, the relationship between global warming and rainfall during the rainy season, which called the baiu in Japan, has been attracting attention in association with heavy rainfall in this period. In the Innovative Program of Climate Change Projection for the 21st Century, many studies show a delay in the northward march of the baiu front, and significant increase of daily precipitation amounts around western Japan during the late baiu season (e.g., Kusunoki et al. 2011, Kanada et al. 2012). The future climate experiment in these studies was performed under the IPCC SRES A1B scenarios for global warming conditions. In this study, we discuss the future changes in precipitation using calculated 60km-mesh model (MRI-AGCM3.2H) under Representative Concentration Pathways (RCP) scenarios. Support of this dataset is provided by the Meteorological Research Institute (MRI). These dataset are calculated by setting the Yoshimura (YS) scheme mainly.Seasonal progression of future precipitation generally indicates the northward in RCP2.6 and 4.5 scenarios, around western Japan. In RCP6.0 scenario, precipitation intensity is weak compared to the other scenarios. RCP8.5 scenario is calculated by setting three different cumulus schemes (YS, Arakawa-Schubert (AS), and Kain-Fritsch (KF) schemes). RCP8.5 configured in YS scheme showed that the rainband associated with the baiu front is not clear. Moreover, peak is remarkable during late June. In AS scheme, the precipitation area stagnates around 30 N until August. And it in KF scheme shows gradual northward migration.This work was conducted under the Program for Risk Information on Climate Change supported by the Ministry of Education, Culture, Sports, Science, and Technology-Japan (MEXT).

Coupled Ablation, Heat Conduction, Pyrolysis, Shape Change and Spallation of the Galileo Probe

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Chen, Y.-K.; Rasky, Daniel J. (Technical Monitor)

1995-01-01

The Galileo probe enters the atmosphere of Jupiter in December 1995. This paper presents numerical methodology and detailed results of our final pre-impact calculations for the heat shield response. The calculations are performed using a highly modified version of a viscous shock layer code with massive radiation coupled with a surface thermochemical ablation and spallation model and with the transient in-depth thermal response of the charring and ablating heat shield. The flowfield is quasi-steady along the trajectory, but the heat shield thermal response is dynamic. Each surface node of the VSL grid is coupled with a one-dimensional thermal response calculation. The thermal solver includes heat conduction, pyrolysis, and grid movement owing to surface recession. Initial conditions for the heat shield temperature and density were obtained from the high altitude rarefied-flow calculations of Haas and Milos. Galileo probe surface temperature, shape, mass flux, and element flux are all determined as functions of time along the trajectory with spallation varied parametrically. The calculations also estimate the in-depth density and temperature profiles for the heat shield. All this information is required to determine the time-dependent vehicle mass and drag coefficient which are necessary inputs for the atmospheric reconstruction experiment on board the probe.

Cross diffusion and exponential space dependent heat source impacts in radiated three-dimensional (3D) flow of Casson fluid by heated surface

NASA Astrophysics Data System (ADS)

Zaigham Zia, Q. M.; Ullah, Ikram; Waqas, M.; Alsaedi, A.; Hayat, T.

2018-03-01

This research intends to elaborate Soret-Dufour characteristics in mixed convective radiated Casson liquid flow by exponentially heated surface. Novel features of exponential space dependent heat source are introduced. Appropriate variables are implemented for conversion of partial differential frameworks into a sets of ordinary differential expressions. Homotopic scheme is employed for construction of analytic solutions. Behavior of various embedding variables on velocity, temperature and concentration distributions are plotted graphically and analyzed in detail. Besides, skin friction coefficients and heat and mass transfer rates are also computed and interpreted. The results signify the pronounced characteristics of temperature corresponding to convective and radiation variables. Concentration bears opposite response for Soret and Dufour variables.

Supercritical Fluid Spray Application Process for Adhesives and Primers

DTIC Science & Technology

2003-03-01

The basic scheme of SFE process consists of three steps. A solvent, typically carbon dioxide, first is heated and pressurized to a supercritical...passivation step to remove contaminants and to prevent recontamination. Bok et al. (25) describe a pressure pulsation mechanism to stimulate improved...in as a liquid, and then it is heated to above its critical temperature to become a supercritical fluid. The sample is injected and dissolved into

a Thtee-Dimensional Variational Assimilation Scheme for Satellite Aod

NASA Astrophysics Data System (ADS)

Liang, Y.; Zang, Z.; You, W.

2018-04-01

A three-dimensional variational data assimilation scheme is designed for satellite AOD based on the IMPROVE (Interagency Monitoring of Protected Visual Environments) equation. The observation operator that simulates AOD from the control variables is established by the IMPROVE equation. All of the 16 control variables in the assimilation scheme are the mass concentrations of aerosol species from the Model for Simulation Aerosol Interactions and Chemistry scheme, so as to take advantage of this scheme in providing comprehensive analyses of species concentrations and size distributions as well as be calculating efficiently. The assimilation scheme can save computational resources as the IMPROVE equation is a quadratic equation. A single-point observation experiment shows that the information from the single-point AOD is effectively spread horizontally and vertically.

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

DOE PAGES

Prokudin, Alexei; Sun, Peng; Yuan, Feng

2015-10-01

Following an earlier derivation by Catani-de Florian-Grazzini (2000) on the scheme dependence in the Collins-Soper- Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. Thus, we further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are remarkablymore » consistent with each other and with that of the standard CSS formalism.« less

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prokudin, Alexei; Sun, Peng; Yuan, Feng

Following an earlier derivation by Catani-de Florian-Grazzini (2000) on the scheme dependence in the Collins-Soper- Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. Thus, we further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are remarkablymore » consistent with each other and with that of the standard CSS formalism.« less

Scheme dependence and transverse momentum distribution interpretation of Collins-Soper-Sterman resummation

NASA Astrophysics Data System (ADS)

Prokudin, Alexei; Sun, Peng; Yuan, Feng

2015-11-01

Following an earlier derivation by Catani, de Florian and Grazzini (2000) on the scheme dependence in the Collins-Soper-Sterman (CSS) resummation formalism in hard scattering processes, we investigate the scheme dependence of the Transverse Momentum Distributions (TMDs) and their applications. By adopting a universal C-coefficient function associated with the integrated parton distributions, the difference between various TMD schemes can be attributed to a perturbative calculable function depending on the hard momentum scale. We further apply several TMD schemes to the Drell-Yan process of lepton pair production in hadronic collisions, and find that the constrained non-perturbative form factors in different schemes are consistent with each other and with that of the standard CSS formalism.

Trajectory characteristics and heating of hypervelocity projectiles having large ballistic coefficients

NASA Technical Reports Server (NTRS)

Tauber, Michael E.

1986-01-01

A simple, approximate equation describing the velocity-density relationship (or velocity-altitude) has been derived from the flight of large ballistic coefficient projectiles launched at high speeds. The calculations obtained by using the approximate equation compared well with results for numerical integrations of the exact equations of motion. The flightpath equation was used to parametrically calculate maximum body decelerations and stagnation pressures for initial velocities from 2 to 6 km/s. Expressions were derived for the stagnation-point convective heating rates and total heat loads. The stagnation-point heating was parametrically calculated for a nonablating wall and an ablating carbon surface. Although the heating rates were very high, the pulse decayed quickly. The total nose-region heat shield weight was conservatively estimated to be only about 1 percent of the body mass.

Thermal Design and Characterization of Heterogeneously Integrated InGaP/GaAs HBTs

DOE PAGES

Choi, Sukwon; Peake, Gregory M.; Keeler, Gordon A.; ...

2016-04-21

Flip-chip heterogeneously integrated n-p-n InGaP/GaAs heterojunction bipolar transistors (HBTs) with integrated thermal management on wide-bandgap AlN substrates followed by GaAs substrate removal are demonstrated. Without thermal management, substrate removal after integration significantly aggravates self-heating effects, causing poor I–V characteristics due to excessive device self-heating. An electrothermal codesign scheme is demonstrated that involves simulation (design), thermal characterization, fabrication, and evaluation. Thermoreflectance thermal imaging, electrical-temperature sensitive parameter-based thermometry, and infrared thermography were utilized to assess the junction temperature rise in HBTs under diverse configurations. In order to reduce the thermal resistance of integrated devices, passive cooling schemes assisted by structural modification, i.e.,more » positioning indium bump heat sinks between the devices and the carrier, were employed. By implementing thermal heat sinks in close proximity to the active region of flip-chip integrated HBTs, the junction-to-baseplate thermal resistance was reduced over a factor of two, as revealed by junction temperature measurements and improvement of electrical performance. In conclusion, the suggested heterogeneous integration method accounts for not only electrical but also thermal requirements providing insight into realization of advanced and robust III–V/Si heterogeneously integrated electronics.« less

Thermonuclear targets for direct-drive ignition by a megajoule laser pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bel’kov, S. A.; Bondarenko, S. V.; Vergunova, G. A.

2015-10-15

Central ignition of a thin two-layer-shell fusion target that is directly driven by a 2-MJ profiled pulse of Nd laser second-harmonic radiation has been studied. The parameters of the target were selected so as to provide effective acceleration of the shell toward the center, which was sufficient for the onset of ignition under conditions of increased hydrodynamic stability of the ablator acceleration and compression. The aspect ratio of the inner deuterium-tritium layer of the shell does not exceed 15, provided that a major part (above 75%) of the outer layer (plastic ablator) is evaporated by the instant of maximum compression.more » The investigation is based on two series of numerical calculations that were performed using one-dimensional (1D) hydrodynamic codes. The first 1D code was used to calculate the absorption of the profiled laser-radiation pulse (including calculation of the total absorption coefficient with allowance for the inverse bremsstrahlung and resonance mechanisms) and the spatial distribution of target heating for a real geometry of irradiation using 192 laser beams in a scheme of focusing with a cubo-octahedral symmetry. The second 1D code was used for simulating the total cycle of target evolution under the action of absorbed laser radiation and for determining the thermonuclear gain that was achieved with a given target.« less

Design study on the efficiency of the thermal scheme of power unit of thermal power plants in hot climates

NASA Astrophysics Data System (ADS)

Sedlov, A.; Dorokhov, Y.; Rybakov, B.; Nenashev, A.

2017-11-01

At the stage of pre-proposals unit of the thermal power plants for regions with a hot climate requires a design study on the efficiency of possible options for the structure of the thermal circuit and a set of key parameters. In this paper, the thermal circuit of the condensing unit powerfully 350 MW. The main feature of the external conditions of thermal power plants in hot climates is the elevated temperature of cooling water of the turbine condensers. For example, in the Persian Gulf region as the cooling water is sea water. In the hot season of the year weighted average sea water temperature of 30.9 °C and during the cold season to 22.8 °C. From the turbine part of the steam is supplied to the distillation-desalination plant. In the hot season of the year heat scheme with pressure fresh pair of 23.54 MPa, temperature 570/560 °C and feed pump with electric drive (EDP) is characterized by a efficiency net of 0.25% higher than thermal schem with feed turbine pump (TDP). However, the supplied power unit with PED is less by 11.6 MW. Calculations of thermal schemes in all seasons of the year allowed us to determine the difference in the profit margin of units of the TDP and EDP. During the year the unit with the TDP provides the ability to obtain the profit margin by 1.55 million dollars more than the unit EDP. When using on the market subsidized price of electricity (Iran) marginal profit of a unit with TDP more at 7.25 million dollars.

Calculations of high-power production target and beamdump for the GSI future Super-FRS for a fast extraction scheme at the FAIR Facility

NASA Astrophysics Data System (ADS)

Tahir, N. A.; Weick, H.; Iwase, H.; Geissel, H.; Hoffmann, D. H. H.; Kindler, B.; Lommel, B.; Radon, T.; Münzenberg, G.; Shutov, A.; Sümmerer, K.; Winkler, M.

2005-06-01

A superconducting fragment separator (Super-FRS) is being designed for the production and separation of radioactive isotopes at the future FAIR (Facility for Antiprotons and Ion Research) facility at Darmstadt. This paper discusses various aspects and requirements for the high-power production target that will be used in the Super-FRS experiments. The production target must survive over an extended period of time as it will be used during the course of many experiments. The specific power deposited by the high intensity beam that will be generated at the future FAIR facility will be high enough to destroy the target in most of the cases as a result of a single shot from the new heavy ion synchrotrons SIS100/300. By using an appropriate beam intensity and focal spot parameters, the target would survive after being irradiated once. However, the heat should be dissipated efficiently before the same target area is irradiated again. We have considered a wheel shaped solid carbon target that rotates around its axis so that different areas of the target are irradiated successively. This allows for cooling of the beam heated region by thermal conduction before the same part of the target is irradiated a second time. Another attractive option is to use a liquid jet target at the Super-FRS. First calculations of a possible liquid lithium target are also presented in this paper. One of the advantages of using lithium as a target is that it will survive even if one uses a smaller focal spot, which has half the area of that used for a solid carbon target. This will significantly improve the isotope resolution. A similar problem associated with these experiments will be safe deposition of the beam energy in a beamdump after its interaction with the production target. We also present calculations to study the suitability of a proposed beamdump.

Calculating the Effect of External Shading on the Solar Heat Gain Coefficient of Windows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kohler, Christian; Shukla, Yash; Rawal, Rajan

Current prescriptive building codes have limited ways to account for the effect of solar shading, such as overhangs and awnings, on window solar heat gains. We propose two new indicators, the adjusted Solar Heat Gain Coefficient (aSHGC) which accounts for external shading while calculating the SHGC of a window, and a weighted SHGC (SHGCw) which provides a seasonal SHGC weighted by solar intensity. We demonstrate a method to calculate these indices using existing tools combined with additional calculations. The method is demonstrated by calculating the effect of an awning on a clear double glazing in New Delhi.

A strong shock tube problem calculated by different numerical schemes

NASA Astrophysics Data System (ADS)

Lee, Wen Ho; Clancy, Sean P.

1996-05-01

Calculated results are presented for the solution of a very strong shock tube problem on a coarse mesh using (1) MESA code, (2) UNICORN code, (3) Schulz hydro, and (4) modified TVD scheme. The first two codes are written in Eulerian coordinates, whereas methods (3) and (4) are in Lagrangian coordinates. MESA and UNICORN codes are both of second order and use different monotonic advection method to avoid the Gibbs phenomena. Code (3) uses typical artificial viscosity for inviscid flow, whereas code (4) uses a modified TVD scheme. The test problem is a strong shock tube problem with a pressure ratio of 109 and density ratio of 103 in an ideal gas. For no mass-matching case, Schulz hydro is better than TVD scheme. In the case of mass-matching, there is no difference between them. MESA and UNICORN results are nearly the same. However, the computed positions such as the contact discontinuity (i.e. the material interface) are not as accurate as the Lagrangian methods.

Assessment of numerical techniques for unsteady flow calculations

NASA Technical Reports Server (NTRS)

Hsieh, Kwang-Chung

1989-01-01

The characteristics of unsteady flow motions have long been a serious concern in the study of various fluid dynamic and combustion problems. With the advancement of computer resources, numerical approaches to these problems appear to be feasible. The objective of this paper is to assess the accuracy of several numerical schemes for unsteady flow calculations. In the present study, Fourier error analysis is performed for various numerical schemes based on a two-dimensional wave equation. Four methods sieved from the error analysis are then adopted for further assessment. Model problems include unsteady quasi-one-dimensional inviscid flows, two-dimensional wave propagations, and unsteady two-dimensional inviscid flows. According to the comparison between numerical and exact solutions, although second-order upwind scheme captures the unsteady flow and wave motions quite well, it is relatively more dissipative than sixth-order central difference scheme. Among various numerical approaches tested in this paper, the best performed one is Runge-Kutta method for time integration and six-order central difference for spatial discretization.

Technical Note: Adjoint formulation of the TOMCAT atmospheric transport scheme in the Eulerian backtracking framework (RETRO-TOM)

NASA Astrophysics Data System (ADS)

Haines, P. E.; Esler, J. G.; Carver, G. D.

2014-06-01

A new methodology for the formulation of an adjoint to the transport component of the chemistry transport model TOMCAT is described and implemented in a new model, RETRO-TOM. The Eulerian backtracking method is used, allowing the forward advection scheme (Prather's second-order moments) to be efficiently exploited in the backward adjoint calculations. Prather's scheme is shown to be time symmetric, suggesting the possibility of high accuracy. To attain this accuracy, however, it is necessary to make a careful treatment of the "density inconsistency" problem inherent to offline transport models. The results are verified using a series of test experiments. These demonstrate the high accuracy of RETRO-TOM when compared with direct forward sensitivity calculations, at least for problems in which flux limiters in the advection scheme are not required. RETRO-TOM therefore combines the flexibility and stability of a "finite difference of adjoint" formulation with the accuracy of an "adjoint of finite difference" formulation.

Technical Note: Adjoint formulation of the TOMCAT atmospheric transport scheme in the Eulerian backtracking framework (RETRO-TOM)

NASA Astrophysics Data System (ADS)

Haines, P. E.; Esler, J. G.; Carver, G. D.

2014-01-01

A new methodology for the formulation of an adjoint to the transport component of the chemistry transport model TOMCAT is described and implemented in a new model RETRO-TOM. The Eulerian backtracking method is used, allowing the forward advection scheme (Prather's second-order moments), to be efficiently exploited in the backward adjoint calculations. Prather's scheme is shown to be time-symmetric suggesting the possibility of high accuracy. To attain this accuracy, however, it is necessary to make a careful treatment of the "density inconsistency" problem inherent to offline transport models. The results are verified using a series of test experiments. These demonstrate the high accuracy of RETRO-TOM when compared with direct forward sensitivity calculations, at least for problems in which flux-limiters in the advection scheme are not required. RETRO-TOM therefore combines the flexibility and stability of a "finite difference of adjoint" formulation with the accuracy of an "adjoint of finite difference" formulation.

Natural convection during heat energy accumulation by substances that change their state of aggregation

NASA Astrophysics Data System (ADS)

Chukaev, A. G.; Kuks, A. M.

Heat transfer calculations are presented for a heat accumulator using the melting heat of a substance which changes its state of aggregation. It is shown that the approach adopted here makes it possible to evaluate the efficiency of using heat-storage materials in the pipe-tank system. The calculations, which allow for the effect of free convection in the liquid phase, have been made using the Boussinesq approximation. Results of a numerical experiment for NaNO3 salt show that the effect of natural convection on heat transfer is significant and that the heat flux to the material decreases as heat accumulates.

Natural convection during heat accumulation by substances with change of aggregate state

NASA Astrophysics Data System (ADS)

Chukayev, A. G.; Kuks, A. M.

1985-03-01

Heat transfer calculations are presented for a heat accumulator using the melting heat of a substance which changes its state of aggregation. It is shown that the approach adopted here makes it possible to evaluate the efficiency of using heat-storage materials in the pipe-tank system. The calculations, which allow for the effect of free convection in the liquid phase, have been made using the Boussinesq approximation. Results of a numerical experiment for NaNO3 salt show that the effect of natural convection on heat transfer is significant and that the heat flux to the material decreases as heat accumulates.

A high accuracy sequential solver for simulation and active control of a longitudinal combustion instability

NASA Technical Reports Server (NTRS)

Shyy, W.; Thakur, S.; Udaykumar, H. S.

1993-01-01

A high accuracy convection scheme using a sequential solution technique has been developed and applied to simulate the longitudinal combustion instability and its active control. The scheme has been devised in the spirit of the Total Variation Diminishing (TVD) concept with special source term treatment. Due to the substantial heat release effect, a clear delineation of the key elements employed by the scheme, i.e., the adjustable damping factor and the source term treatment has been made. By comparing with the first-order upwind scheme previously utilized, the present results exhibit less damping and are free from spurious oscillations, offering improved quantitative accuracy while confirming the spectral analysis reported earlier. A simple feedback type of active control has been found to be capable of enhancing or attenuating the magnitude of the combustion instability.

Tool Steel Heat Treatment Optimization Using Neural Network Modeling

NASA Astrophysics Data System (ADS)

Podgornik, Bojan; Belič, Igor; Leskovšek, Vojteh; Godec, Matjaz

2016-11-01

Optimization of tool steel properties and corresponding heat treatment is mainly based on trial and error approach, which requires tremendous experimental work and resources. Therefore, there is a huge need for tools allowing prediction of mechanical properties of tool steels as a function of composition and heat treatment process variables. The aim of the present work was to explore the potential and possibilities of artificial neural network-based modeling to select and optimize vacuum heat treatment conditions depending on the hot work tool steel composition and required properties. In the current case training of the feedforward neural network with error backpropagation training scheme and four layers of neurons (8-20-20-2) scheme was based on the experimentally obtained tempering diagrams for ten different hot work tool steel compositions and at least two austenitizing temperatures. Results show that this type of modeling can be successfully used for detailed and multifunctional analysis of different influential parameters as well as to optimize heat treatment process of hot work tool steels depending on the composition. In terms of composition, V was found as the most beneficial alloying element increasing hardness and fracture toughness of hot work tool steel; Si, Mn, and Cr increase hardness but lead to reduced fracture toughness, while Mo has the opposite effect. Optimum concentration providing high KIc/HRC ratios would include 0.75 pct Si, 0.4 pct Mn, 5.1 pct Cr, 1.5 pct Mo, and 0.5 pct V, with the optimum heat treatment performed at lower austenitizing and intermediate tempering temperatures.

Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization Energies

PubMed Central

2015-01-01

In combined quantum mechanical/molecular mechanical (QM/MM) free energy calculations, it is often advantageous to have a frozen geometry for the quantum mechanical (QM) region. For such multiple-environment single-system (MESS) cases, two schemes are proposed here for estimating the polarization energy: the first scheme, termed MESS-E, involves a Roothaan step extrapolation of the self-consistent field (SCF) energy; whereas the other scheme, termed MESS-H, employs a Newton–Raphson correction using an approximate inverse electronic Hessian of the QM region (which is constructed only once). Both schemes are extremely efficient, because the expensive Fock updates and SCF iterations in standard QM/MM calculations are completely avoided at each configuration. They produce reasonably accurate QM/MM polarization energies: MESS-E can predict the polarization energy within 0.25 kcal/mol in terms of the mean signed error for two of our test cases, solvated methanol and solvated β-alanine, using the M06-2X or ωB97X-D functionals; MESS-H can reproduce the polarization energy within 0.2 kcal/mol for these two cases and for the oxyluciferin–luciferase complex, if the approximate inverse electronic Hessians are constructed with sufficient accuracy. PMID:25321186

An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling

NASA Astrophysics Data System (ADS)

Liu, Junzi; Cheng, Lan

2018-04-01

An atomic mean-field (AMF) spin-orbit (SO) approach within exact two-component theory (X2C) is reported, thereby exploiting the exact decoupling scheme of X2C, the one-electron approximation for the scalar-relativistic contributions, the mean-field approximation for the treatment of the two-electron SO contribution, and the local nature of the SO interactions. The Hamiltonian of the proposed SOX2CAMF scheme comprises the one-electron X2C Hamiltonian, the instantaneous two-electron Coulomb interaction, and an AMF SO term derived from spherically averaged Dirac-Coulomb Hartree-Fock calculations of atoms; no molecular relativistic two-electron integrals are required. Benchmark calculations for bond lengths, harmonic frequencies, dipole moments, and electric-field gradients for a set of diatomic molecules containing elements across the periodic table show that the SOX2CAMF scheme offers a balanced treatment for SO and scalar-relativistic effects and appears to be a promising candidate for applications to heavy-element containing systems. SOX2CAMF coupled-cluster calculations of molecular properties for bismuth compounds (BiN, BiP, BiF, BiCl, and BiI) are also presented and compared with experimental results to further demonstrate the accuracy and applicability of the SOX2CAMF scheme.

Thermodynamic evaluation of transonic compressor rotors using the finite volume approach

NASA Technical Reports Server (NTRS)

Moore, J.; Nicholson, S.; Moore, J. G.

1985-01-01

Research at NASA Lewis Research Center gave the opportunity to incorporate new control volumes in the Denton 3-D finite-volume time marching code. For duct flows, the new control volumes require no transverse smoothing and this allows calculations with large transverse gradients in properties without significant numerical total pressure losses. Possibilities for improving the Denton code to obtain better distributions of properties through shocks were demonstrated. Much better total pressure distributions through shocks are obtained when the interpolated effective pressure, needed to stabilize the solution procedure, is used to calculate the total pressure. This simple change largely eliminates the undershoot in total pressure down-stream of a shock. Overshoots and undershoots in total pressure can then be further reduced by a factor of 10 by adopting the effective density method, rather than the effective pressure method. Use of a Mach number dependent interpolation scheme for pressure then removes the overshoot in static pressure downstream of a shock. The stability of interpolation schemes used for the calculation of effective density is analyzed and a Mach number dependent scheme is developed, combining the advantages of the correct perfect gas equation for subsonic flow with the stability of 2-point and 3-point interpolation schemes for supersonic flow.

Multiple environment single system quantum mechanical/molecular mechanical (MESS-QM/MM) calculations. 1. Estimation of polarization energies

DOE PAGES

Sodt, Alexander J.; Mei, Ye; Konig, Gerhard; ...

2014-10-16

In combined quantum mechanical/molecular mechanical (QM/MM) free energy calculations, it is often advantageous to have a frozen geometry for the quantum mechanical (QM) region. For such multiple-environment single-system (MESS) cases, two schemes are proposed here for estimating the polarization energy: the first scheme, termed MESS-E, involves a Roothaan step extrapolation of the self-consistent field (SCF) energy; whereas the other scheme, termed MESS-H, employs a Newton–Raphson correction using an approximate inverse electronic Hessian of the QM region (which is constructed only once). Both schemes are extremely efficient, because the expensive Fock updates and SCF iterations in standard QM/MM calculations are completelymore » avoided at each configuration. Here, they produce reasonably accurate QM/MM polarization energies: MESS-E can predict the polarization energy within 0.25 kcal/mol in terms of the mean signed error for two of our test cases, solvated methanol and solvated β-alanine, using the M06-2X or ωB97X-D functionals; MESS-H can reproduce the polarization energy within 0.2 kcal/mol for these two cases and for the oxyluciferin–luciferase complex, if the approximate inverse electronic Hessians are constructed with sufficient accuracy.« less

Automated calculation of surface energy fluxes with high-frequency lake buoy data

USGS Publications Warehouse

Woolway, R. Iestyn; Jones, Ian D; Hamilton, David P.; Maberly, Stephen C; Muroaka, Kohji; Read, Jordan S.; Smyth, Robyn L; Winslow, Luke A.

2015-01-01

Lake Heat Flux Analyzer is a program used for calculating the surface energy fluxes in lakes according to established literature methodologies. The program was developed in MATLAB for the rapid analysis of high-frequency data from instrumented lake buoys in support of the emerging field of aquatic sensor network science. To calculate the surface energy fluxes, the program requires a number of input variables, such as air and water temperature, relative humidity, wind speed, and short-wave radiation. Available outputs for Lake Heat Flux Analyzer include the surface fluxes of momentum, sensible heat and latent heat and their corresponding transfer coefficients, incoming and outgoing long-wave radiation. Lake Heat Flux Analyzer is open source and can be used to process data from multiple lakes rapidly. It provides a means of calculating the surface fluxes using a consistent method, thereby facilitating global comparisons of high-frequency data from lake buoys.

Conservative and bounded volume-of-fluid advection on unstructured grids

NASA Astrophysics Data System (ADS)

Ivey, Christopher B.; Moin, Parviz

2017-12-01

This paper presents a novel Eulerian-Lagrangian piecewise-linear interface calculation (PLIC) volume-of-fluid (VOF) advection method, which is three-dimensional, unsplit, and discretely conservative and bounded. The approach is developed with reference to a collocated node-based finite-volume two-phase flow solver that utilizes the median-dual mesh constructed from non-convex polyhedra. The proposed advection algorithm satisfies conservation and boundedness of the liquid volume fraction irrespective of the underlying flux polyhedron geometry, which differs from contemporary unsplit VOF schemes that prescribe topologically complicated flux polyhedron geometries in efforts to satisfy conservation. Instead of prescribing complicated flux-polyhedron geometries, which are prone to topological failures, our VOF advection scheme, the non-intersecting flux polyhedron advection (NIFPA) method, builds the flux polyhedron iteratively such that its intersection with neighboring flux polyhedra, and any other unavailable volume, is empty and its total volume matches the calculated flux volume. During each iteration, a candidate nominal flux polyhedron is extruded using an iteration dependent scalar. The candidate is subsequently intersected with the volume guaranteed available to it at the time of the flux calculation to generate the candidate flux polyhedron. The difference in the volume of the candidate flux polyhedron and the actual flux volume is used to calculate extrusion during the next iteration. The choice in nominal flux polyhedron impacts the cost and accuracy of the scheme; however, it does not impact the methods underlying conservation and boundedness. As such, various robust nominal flux polyhedron are proposed and tested using canonical periodic kinematic test cases: Zalesak's disk and two- and three-dimensional deformation. The tests are conducted on the median duals of a quadrilateral and triangular primal mesh, in two-dimensions, and on the median duals of a hexahedral, wedge and tetrahedral primal mesh, in three-dimensions. Comparisons are made with the adaptation of a conventional unsplit VOF advection scheme to our collocated node-based flow solver. Depending on the choice in the nominal flux polyhedron, the NIFPA scheme presented accuracies ranging from zeroth to second order and calculation times that differed by orders of magnitude. For the nominal flux polyhedra which demonstrate second-order accuracy on all tests and meshes, the NIFPA method's cost was comparable to the traditional topologically complex second-order accurate VOF advection scheme.

Fuel and Carbon Dioxide Emissions Savings Calculation Methodology for Combined Heat and Power Systems

EPA Pesticide Factsheets

This paper provides the EPA Combined Heat and Power Partnership's recommended methodology for calculating fuel and carbon dioxide emissions savings from CHP compared to SHP, which serves as the basis for the EPA's CHP emissions calculator.

Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian.

PubMed

Seino, Junji; Nakai, Hiromi

2012-06-28

An accurate and efficient scheme for two-component relativistic calculations at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level is presented. The present scheme, termed local unitary transformation (LUT), is based on the locality of the relativistic effect. Numerical assessments of the LUT scheme were performed in diatomic molecules such as HX and X(2) (X = F, Cl, Br, I, and At) and hydrogen halide clusters, (HX)(n) (X = F, Cl, Br, and I). Total energies obtained by the LUT method agree well with conventional IODKH results. The computational costs of the LUT method are drastically lower than those of conventional methods since in the former there is linear-scaling with respect to the system size and a small prefactor.

Application of a symmetric total variation diminishing scheme to aerodynamics of rotors

NASA Astrophysics Data System (ADS)

Usta, Ebru

2002-09-01

The aerodynamics characteristics of rotors in hover have been studied on stretched non-orthogonal grids using spatially high order symmetric total variation diminishing (STVD) schemes. Several companion numerical viscosity terms have been tested. The effects of higher order metrics, higher order load integrations and turbulence effects on the rotor performance have been studied. Where possible, calculations for 1-D and 2-D benchmark problems have been done on uniform grids, and comparisons with exact solutions have been made to understand the dispersion and dissipation characteristics of these algorithms. A baseline finite volume methodology termed TURNS (Transonic Unsteady Rotor Navier-Stokes) is the starting point for this effort. The original TURNS solver solves the 3-D compressible Navier-Stokes equations in an integral form using a third order upwind scheme. It is first or second order accurate in time. In the modified solver, the inviscid flux at a cell face is decomposed into two parts. The first part of the flux is symmetric in space, while the second part consists of an upwind-biased numerical viscosity term. The symmetric part of the flux at the cell face is computed to fourth-, sixth- or eighth order accuracy in space. The numerical viscosity portion of the flux is computed using either a third order accurate MUSCL scheme or a fifth order WENO scheme. A number of results are presented for the two-bladed Caradonna-Tung rotor and for a four-bladed UH-60A rotor in hover. Comparisons with the original TURNS code, and experiments are given. Results are also presented on the effects of metrics calculations, load integration algorithms, and turbulence models on the solution accuracy. A total of 64 combinations were studied in this thesis work. For brevity, only a small subset of results highlighting the most important conclusions are presented. It should be noted that use of higher order formulations did not affect the temporal stability of the algorithm and did not require any reduction in the time step. The calculations show that the solution accuracy increases when the 3 rd order upwind scheme in the baseline algorithm is replaced with 4th and 6th order accurate symmetric flux calculations. A point of diminishing returns is reached as increasingly larger stencils are used on highly stretched grids. The numerical viscosity term, when computed with the third order MUSCL scheme, is very dissipative, and does not resolve the tip vortex well. The WENO5 scheme, on the other hand significantly improves the tip vortex capturing. The STVD6+WENO5 scheme, in particular gave the best combinations of solution accuracy and efficiency on stretched grids. Spatially fourth order accurate metric calculations were found to be beneficial, but should be used in conjunction with a limiter that drops the metric calculation to a second order accuracy in the vicinity of grid discontinuities. High order integration of loads was found to have a beneficial, but small effect on the computed loads. Replacing the Baldwin-Lomax turbulence model with a one equation Spalart-Allmaras model resulted in higher than expected profile power contributions. Nevertheless the one-equation model is recommended for its robustness, its ability to model separated flows at high thrust settings, and the natural manner in which turbulence in the rotor wake may be treated.

Linking the Local Climate Zones and Land Surface Temperature to Investigate the Surface Urban Heat Island, a Case Study of San Antonio, Texas, U.S.

NASA Astrophysics Data System (ADS)

Zhao, Chunhong

2018-04-01

The Local Climate Zones (LCZs) concept was initiated in 2012 to improve the documentation of Urban Heat Island (UHI) observations. Despite the indispensable role and initial aim of LCZs concept in metadata reporting for atmospheric UHI research, its role in surface UHI investigation also needs to be emphasized. This study incorporated LCZs concept to study surface UHI effect for San Antonio, Texas. LCZ map was developed by a GIS-based LCZs classification scheme with the aid of airborne Lidar dataset and other freely available GIS data. Then, the summer LST was calculated based Landsat imagery, which was used to analyse the relations between LST and LCZs and the statistical significance of the differences of LST among the typical LCZs, in order to test if LCZs are able to efficiently facilitate SUHI investigation. The linkage of LCZs and land surface temperature (LST) indicated that the LCZs mapping can be used to compare and investigate the SUHI. Most of the pairs of LCZs illustrated significant differences in average LSTs with considerable significance. The intra-urban temperature comparison among different urban classes contributes to investigate the influence of heterogeneous urban morphology on local climate formation.

Numerical Analysis of a Paraffin/Metal Foam Composite for Thermal Storage

NASA Astrophysics Data System (ADS)

Di Giorgio, P.; Iasiello, M.; Viglione, A.; Mameli, M.; Filippeschi, S.; Di Marco, P.; Andreozzi, A.; Bianco, N.

2017-01-01

In the last decade, the use of Phase Change Materials (PCMs) as passive thermal energy storage has been widely studied both analytically and experimentally. Among the PCMs, paraffins show many advantages, such as having a high latent heat, a low vapour pressure, being chemically inert, stable and non-toxic. But, their thermal conductivity is very low with a high volume change during the melting process. An efficient way to increase their poor thermal conductivity is to couple them with open cells metallic foams. This paper deals with a theoretical analysis of paraffin melting process inside an aluminum foam. A mathematical model is developed by using the volume-averaged governing equations for the porous domain, made up by the PCM embedded into the metal foam. Non-Darcian and buoyancy effects are considered in the momentum equation, while the energy equations are modelled with the Local Thermal Non-Equilibrium (LTNE) approach. The PCM liquefaction is treated with the apparent heat capacity method and the governing equations are solved with a finite-element scheme by COMSOL Multiphysics®. A new method to calculate the coupling coefficients needed for the thermal model has been developed and the results obtained have been validated comparing them to experimental data in literature.

Spatial nonlinear absorption of Alfven waves by dissipative plasma taking account bremsstrahlung

NASA Astrophysics Data System (ADS)

Taiurskii, A. A.; Gavrikov, M. B.

2016-10-01

We study numerically the nonlinear absorption of a plane Alfven wave falling on the stationary boundary of dissipative plasma. This absorption is caused by such factors as the magnetic viscosity, hydrodynamic viscosity, and thermal conductivity of electrons and ions, bremsstrahlung and energy exchange between plasma components. The relevance of this investigation is due to some works, published in 2011, with regard to the heating mechanism of the solar corona and solar wind generation as a result of the absorption of plasma Alfven waves generated in the lower significantly colder layers of the Sun. Numerical analysis shows that the absorption of Alfven waves occurs at wavelengths of the order of skin depth, in which case the classical MHD equations are inapplicable. Therefore, our research is based on equations of two-fluid magnetohydrodynamics that take into account the inertia of the electrons. The implicit difference scheme proposed here for calculating plane-parallel flows of two-fluid plasma reveals a number of important patterns of absorption and thus allows us to study the dependence of the absorption on the Alfven wave frequency and the electron thermal conductivity and viscosity, as well as to evaluate the depth and the velocity of plasma heating during the penetration of Alfven waves interacting with dissipative plasma.

Trajectory errors of different numerical integration schemes diagnosed with the MPTRAC advection module driven by ECMWF operational analyses

NASA Astrophysics Data System (ADS)

Rößler, Thomas; Stein, Olaf; Heng, Yi; Baumeister, Paul; Hoffmann, Lars

2018-02-01

The accuracy of trajectory calculations performed by Lagrangian particle dispersion models (LPDMs) depends on various factors. The optimization of numerical integration schemes used to solve the trajectory equation helps to maximize the computational efficiency of large-scale LPDM simulations. We analyzed global truncation errors of six explicit integration schemes of the Runge-Kutta family, which we implemented in the Massive-Parallel Trajectory Calculations (MPTRAC) advection module. The simulations were driven by wind fields from operational analysis and forecasts of the European Centre for Medium-Range Weather Forecasts (ECMWF) at T1279L137 spatial resolution and 3 h temporal sampling. We defined separate test cases for 15 distinct regions of the atmosphere, covering the polar regions, the midlatitudes, and the tropics in the free troposphere, in the upper troposphere and lower stratosphere (UT/LS) region, and in the middle stratosphere. In total, more than 5000 different transport simulations were performed, covering the months of January, April, July, and October for the years 2014 and 2015. We quantified the accuracy of the trajectories by calculating transport deviations with respect to reference simulations using a fourth-order Runge-Kutta integration scheme with a sufficiently fine time step. Transport deviations were assessed with respect to error limits based on turbulent diffusion. Independent of the numerical scheme, the global truncation errors vary significantly between the different regions. Horizontal transport deviations in the stratosphere are typically an order of magnitude smaller compared with the free troposphere. We found that the truncation errors of the six numerical schemes fall into three distinct groups, which mostly depend on the numerical order of the scheme. Schemes of the same order differ little in accuracy, but some methods need less computational time, which gives them an advantage in efficiency. The selection of the integration scheme and the appropriate time step should possibly take into account the typical altitude ranges as well as the total length of the simulations to achieve the most efficient simulations. However, trying to summarize, we recommend the third-order Runge-Kutta method with a time step of 170 s or the midpoint scheme with a time step of 100 s for efficient simulations of up to 10 days of simulation time for the specific ECMWF high-resolution data set considered in this study. Purely stratospheric simulations can use significantly larger time steps of 800 and 1100 s for the midpoint scheme and the third-order Runge-Kutta method, respectively.

A fast iterative scheme for the linearized Boltzmann equation

NASA Astrophysics Data System (ADS)

Wu, Lei; Zhang, Jun; Liu, Haihu; Zhang, Yonghao; Reese, Jason M.

2017-06-01

Iterative schemes to find steady-state solutions to the Boltzmann equation are efficient for highly rarefied gas flows, but can be very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the solution of the linearized Boltzmann equation by penalizing the collision operator L into the form L = (L + Nδh) - Nδh, where δ is the gas rarefaction parameter, h is the velocity distribution function, and N is a tuning parameter controlling the convergence rate. The velocity distribution function is first solved by the conventional iterative scheme, then it is corrected such that the macroscopic flow velocity is governed by a diffusion-type equation that is asymptotic-preserving into the Navier-Stokes limit. The efficiency of this new scheme is assessed by calculating the eigenvalue of the iteration, as well as solving for Poiseuille and thermal transpiration flows. We find that the fastest convergence of our synthetic scheme for the linearized Boltzmann equation is achieved when Nδ is close to the average collision frequency. The synthetic iterative scheme is significantly faster than the conventional iterative scheme in both the transition and the near-continuum gas flow regimes. Moreover, due to its asymptotic-preserving properties, the synthetic iterative scheme does not need high spatial resolution in the near-continuum flow regime, which makes it even faster than the conventional iterative scheme. Using this synthetic scheme, with the fast spectral approximation of the linearized Boltzmann collision operator, Poiseuille and thermal transpiration flows between two parallel plates, through channels of circular/rectangular cross sections and various porous media are calculated over the whole range of gas rarefaction. Finally, the flow of a Ne-Ar gas mixture is solved based on the linearized Boltzmann equation with the Lennard-Jones intermolecular potential for the first time, and the difference between these results and those using the hard-sphere potential is discussed.

40 CFR 75.71 - Specific provisions for monitoring NOX and heat input for the purpose of calculating NOX mass...

Code of Federal Regulations, 2011 CFR

2011-07-01

... and heat input for the purpose of calculating NOX mass emissions. 75.71 Section 75.71 Protection of... MONITORING NOX Mass Emissions Provisions § 75.71 Specific provisions for monitoring NOX and heat input for... and for a flow monitoring system and an O2 or CO2 diluent gas monitoring system to measure heat input...

Towards a Definition of Basic Numeracy

ERIC Educational Resources Information Center

Girling, Michael

1977-01-01

The author redefines basic numeracy as the ability to use a four-function calculator sensibly. He then defines "sensibly" and considers the place of algorithms in the scheme of mathematical calculations. (MN)

The implementation of reverse Kessler warm rain scheme for radar reflectivity assimilation using a nudging approach in New Zealand

NASA Astrophysics Data System (ADS)

Zhang, Sijin; Austin, Geoff; Sutherland-Stacey, Luke

2014-05-01

Reverse Kessler warm rain processes were implemented within the Weather Research and Forecasting Model (WRF) and coupled with a Newtonian relaxation, or nudging technique designed to improve quantitative precipitation forecasting (QPF) in New Zealand by making use of observed radar reflectivity and modest computing facilities. One of the reasons for developing such a scheme, rather than using 4D-Var for example, is that radar VAR scheme in general, and 4D-Var in particular, requires computational resources beyond the capability of most university groups and indeed some national forecasting centres of small countries like New Zealand. The new scheme adjusts the model water vapor mixing ratio profiles based on observed reflectivity at each time step within an assimilation time window. The whole scheme can be divided into following steps: (i) The radar reflectivity is firstly converted to rain water, and (ii) then the rain water is used to derive cloud water content according to the reverse Kessler scheme; (iii) The cloud water content associated water vapor mixing ratio is then calculated based on the saturation adjustment processes; (iv) Finally the adjusted water vapor is nudged into the model and the model background is updated. 13 rainfall cases which occurred in the summer of 2011/2012 in New Zealand were used to evaluate the new scheme, different forecast scores were calculated and showed that the new scheme was able to improve precipitation forecasts on average up to around 7 hours ahead depending on different verification thresholds.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guo Xiaoming

The dominated process of controlled fusion is to let nuclei gain enough kinetic energy to overcome Coulomb barrier. As a result, a fusion scheme can consider two factors in its design: to increase kinetic energy of nuclei and to alter the Coulomb barrier. Cold Fusion and Hot fusion are all one-factor schemes while Intermediate Fusion is a twofactors scheme. This made CINF kinetically superior. Cold Fusion reduces deuteron-deuteron distance, addressing Coulomb barrier, and Hot Fusion heat up plasma into extreme high temperature, addressing kinetic energy. Without enough kinetic energy made Cold Fusion skeptical. Extreme high temperature made Hot Fusion verymore » difficult to engineer. Because CIFN addresses both factors, CIFN is a more promising technique to be industrialized.« less

Kinetic advantage of controlled intermediate nuclear fusion

NASA Astrophysics Data System (ADS)

Guo, Xiaoming

2012-09-01

The dominated process of controlled fusion is to let nuclei gain enough kinetic energy to overcome Coulomb barrier. As a result, a fusion scheme can consider two factors in its design: to increase kinetic energy of nuclei and to alter the Coulomb barrier. Cold Fusion and Hot fusion are all one-factor schemes while Intermediate Fusion is a twofactors scheme. This made CINF kinetically superior. Cold Fusion reduces deuteron-deuteron distance, addressing Coulomb barrier, and Hot Fusion heat up plasma into extreme high temperature, addressing kinetic energy. Without enough kinetic energy made Cold Fusion skeptical. Extreme high temperature made Hot Fusion very difficult to engineer. Because CIFN addresses both factors, CIFN is a more promising technique to be industrialized.

Compact scheme for systems of equations applied to fundamental problems of mechanics of continua

NASA Technical Reports Server (NTRS)

Klimkowski, Jerzy Z.

1990-01-01

Compact scheme formulation was used in the treatment of boundary conditions for a system of coupled diffusion and Poisson equations. Models and practical solutions of specific engineering problems arising in solid mechanics, chemical engineering, heat transfer and fuid mechanics are described and analyzed for efficiency and accuracy. Only 2-D cases are discussed and a new method of numerical treatment of boundary conditions common in the fundamental problems of mechanics of continua is presented.

Dynamic Restarting Schemes for Eigenvalue Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Kesheng; Simon, Horst D.

1999-03-10

In studies of restarted Davidson method, a dynamic thick-restart scheme was found to be excellent in improving the overall effectiveness of the eigen value method. This paper extends the study of the dynamic thick-restart scheme to the Lanczos method for symmetric eigen value problems and systematically explore a range of heuristics and strategies. We conduct a series of numerical tests to determine their relative strength and weakness on a class of electronic structure calculation problems.

Fuel quality/processing study. Volume 3: Fuel upgrading studies

NASA Technical Reports Server (NTRS)

Jones, G. E., Jr.; Bruggink, P.; Sinnett, C.

1981-01-01

The methods used to calculate the refinery selling prices for the turbine fuels of low quality are described. Detailed descriptions and economics of the upgrading schemes are included. These descriptions include flow diagrams showing the interconnection between processes and the stream flows involved. Each scheme is in a complete, integrated, stand alone facility. Except for the purchase of electricity and water, each scheme provides its own fuel and manufactures, when appropriate, its own hydrogen.

Research on Streamlines and Aerodynamic Heating for Unstructured Grids on High-Speed Vehicles

NASA Technical Reports Server (NTRS)

DeJarnette, Fred R.; Hamilton, H. Harris (Technical Monitor)

2001-01-01

Engineering codes are needed which can calculate convective heating rates accurately and expeditiously on the surfaces of high-speed vehicles. One code which has proven to meet these needs is the Langley Approximate Three-Dimensional Convective Heating (LATCH) code. It uses the axisymmetric analogue in an integral boundary-layer method to calculate laminar and turbulent heating rates along inviscid surface streamlines. It requires the solution of the inviscid flow field to provide the surface properties needed to calculate the streamlines and streamline metrics. The LATCH code has been used with inviscid codes which calculated the flow field on structured grids, Several more recent inviscid codes calculate flow field properties on unstructured grids. The present research develops a method to calculate inviscid surface streamlines, the streamline metrics, and heating rates using the properties calculated from inviscid flow fields on unstructured grids. Mr. Chris Riley, prior to his departure from NASA LaRC, developed a preliminary code in the C language, called "UNLATCH", to accomplish these goals. No publication was made on his research. The present research extends and improves on the code developed by Riley. Particular attention is devoted to the stagnation region, and the method is intended for programming in the FORTRAN 90 language.

Development of iterative techniques for the solution of unsteady compressible viscous flows

NASA Technical Reports Server (NTRS)

Hixon, Duane; Sankar, L. N.

1993-01-01

During the past two decades, there has been significant progress in the field of numerical simulation of unsteady compressible viscous flows. At present, a variety of solution techniques exist such as the transonic small disturbance analyses (TSD), transonic full potential equation-based methods, unsteady Euler solvers, and unsteady Navier-Stokes solvers. These advances have been made possible by developments in three areas: (1) improved numerical algorithms; (2) automation of body-fitted grid generation schemes; and (3) advanced computer architectures with vector processing and massively parallel processing features. In this work, the GMRES scheme has been considered as a candidate for acceleration of a Newton iteration time marching scheme for unsteady 2-D and 3-D compressible viscous flow calculation; from preliminary calculations, this will provide up to a 65 percent reduction in the computer time requirements over the existing class of explicit and implicit time marching schemes. The proposed method has ben tested on structured grids, but is flexible enough for extension to unstructured grids. The described scheme has been tested only on the current generation of vector processor architecture of the Cray Y/MP class, but should be suitable for adaptation to massively parallel machines.

Overview of the preliminary design of the ITER plasma control system

NASA Astrophysics Data System (ADS)

Snipes, J. A.; Albanese, R.; Ambrosino, G.; Ambrosino, R.; Amoskov, V.; Blanken, T. C.; Bremond, S.; Cinque, M.; de Tommasi, G.; de Vries, P. C.; Eidietis, N.; Felici, F.; Felton, R.; Ferron, J.; Formisano, A.; Gribov, Y.; Hosokawa, M.; Hyatt, A.; Humphreys, D.; Jackson, G.; Kavin, A.; Khayrutdinov, R.; Kim, D.; Kim, S. H.; Konovalov, S.; Lamzin, E.; Lehnen, M.; Lukash, V.; Lomas, P.; Mattei, M.; Mineev, A.; Moreau, P.; Neu, G.; Nouailletas, R.; Pautasso, G.; Pironti, A.; Rapson, C.; Raupp, G.; Ravensbergen, T.; Rimini, F.; Schneider, M.; Travere, J.-M.; Treutterer, W.; Villone, F.; Walker, M.; Welander, A.; Winter, A.; Zabeo, L.

2017-12-01

An overview of the preliminary design of the ITER plasma control system (PCS) is described here, which focusses on the needs for 1st plasma and early plasma operation in hydrogen/helium (H/He) up to a plasma current of 15 MA with moderate auxiliary heating power in low confinement mode (L-mode). Candidate control schemes for basic magnetic control, including divertor operation and kinetic control of the electron density with gas puffing and pellet injection, were developed. Commissioning of the auxiliary heating systems is included as well as support functions for stray field topology and real-time plasma boundary reconstruction. Initial exception handling schemes for faults of essential plant systems and for disruption protection were developed. The PCS architecture was also developed to be capable of handling basic control for early commissioning and the advanced control functions that will be needed for future high performance operation. A plasma control simulator is also being developed to test and validate control schemes. To handle the complexity of the ITER PCS, a systems engineering approach has been adopted with the development of a plasma control database to keep track of all control requirements.

A theoretical study of the relaxation of a phenyl group chemisorbed to an RDX freestanding thin film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pereverzev, Andrey, E-mail: pereverzeva@missouri.edu; Sewell, Thomas D., E-mail: sewellt@missouri.edu

Energy relaxation from an excited phenyl group chemisorbed to the surface of a crystalline thin film of α-1,3,5-trinitro-1,3,5-triazacyclohexane (α-RDX) at 298 K and 1 atm is simulated using molecular dynamics. Two schemes are used to excite the phenyl group. In the first scheme, the excitation energy is added instantaneously as kinetic energy by rescaling momenta of the 11 atoms in the phenyl group. In the second scheme, the phenyl group is equilibrated at a higher temperature in the presence of static RDX geometries representative of the 298 K thin film. An analytical model based on ballistic phonon transport that requiresmore » only the harmonic part of the total Hamiltonian and includes no adjustable parameters is shown to predict, essentially quantitatively, the short-time dynamics of the kinetic energy relaxation (∼200 fs). The dynamics of the phenyl group for times longer than about 6 ps follows exponential decay and agrees qualitatively with the dynamics described by a master equation. Long-time heat propagation within the bulk of the crystal film is consistent with the heat equation.« less

Implicitly solving phase appearance and disappearance problems using two-fluid six-equation model

DOE PAGES

Zou, Ling; Zhao, Haihua; Zhang, Hongbin

2016-01-25

Phase appearance and disappearance issue presents serious numerical challenges in two-phase flow simulations using the two-fluid six-equation model. Numerical challenges arise from the singular equation system when one phase is absent, as well as from the discontinuity in the solution space when one phase appears or disappears. In this work, a high-resolution spatial discretization scheme on staggered grids and fully implicit methods were applied for the simulation of two-phase flow problems using the two-fluid six-equation model. A Jacobian-free Newton-Krylov (JFNK) method was used to solve the discretized nonlinear problem. An improved numerical treatment was proposed and proved to be effectivemore » to handle the numerical challenges. The treatment scheme is conceptually simple, easy to implement, and does not require explicit truncations on solutions, which is essential to conserve mass and energy. Various types of phase appearance and disappearance problems relevant to thermal-hydraulics analysis have been investigated, including a sedimentation problem, an oscillating manometer problem, a non-condensable gas injection problem, a single-phase flow with heat addition problem and a subcooled flow boiling problem. Successful simulations of these problems demonstrate the capability and robustness of the proposed numerical methods and numerical treatments. As a result, volume fraction of the absent phase can be calculated effectively as zero.« less

A Fast and Accurate Method of Radiation Hydrodynamics Calculation in Spherical Symmetry

NASA Astrophysics Data System (ADS)

Stamer, Torsten; Inutsuka, Shu-ichiro

2018-06-01

We develop a new numerical scheme for solving the radiative transfer equation in a spherically symmetric system. This scheme does not rely on any kind of diffusion approximation, and it is accurate for optically thin, thick, and intermediate systems. In the limit of a homogeneously distributed extinction coefficient, our method is very accurate and exceptionally fast. We combine this fast method with a slower but more generally applicable method to describe realistic problems. We perform various test calculations, including a simplified protostellar collapse simulation. We also discuss possible future improvements.

A Study of Convergence of the PMARC Matrices Applicable to WICS Calculations

NASA Technical Reports Server (NTRS)

Ghosh, Amitabha

1997-01-01

This report discusses some analytical procedures to enhance the real time solutions of PMARC matrices applicable to the Wall Interference Correction Scheme (WICS) currently being implemented at the 12 foot Pressure Tunnel. WICS calculations involve solving large linear systems in a reasonably speedy manner necessitating exploring further improvement in solution time. This paper therefore presents some of the associated theory of the solution of linear systems. Then it discusses a geometrical interpretation of the residual correction schemes. Finally some results of the current investigation are presented.

A Study of Convergence of the PMARC Matrices Applicable to WICS Calculations

NASA Technical Reports Server (NTRS)

Ghosh, Amitabha

1997-01-01

This report discusses some analytical procedures to enhance the real time solutions of PMARC matrices applicable to the Wall Interference Correction Scheme (WICS) currently being implemented at the 12 foot Pressure Tunell. WICS calculations involve solving large linear systems in a reasonably speedy manner necessitating exploring further improvement in solution time. This paper therefore presents some of the associated theory of the solution of linear systems. Then it discusses a geometrical interpretation of the residual correction schemes. Finally, some results of the current investigation are presented.

Nonperturbative renormalization of quark bilinear operators and B{sub K} using domain wall fermions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aoki, Y.; Dawson, C.; Brookhaven National Laboratory, Upton, New York 11973

2008-09-01

We present a calculation of the renormalization coefficients of the quark bilinear operators and the K-K mixing parameter B{sub K}. The coefficients relating the bare lattice operators to those in the RI/MOM scheme are computed nonperturbatively and then matched perturbatively to the MS scheme. The coefficients are calculated on the RBC/UKQCD 2+1 flavor dynamical lattice configurations. Specifically we use a 16{sup 3}x32 lattice volume, the Iwasaki gauge action at {beta}=2.13 and domain wall fermions with L{sub s}=16.