Non-equilibrium dog-flea model

Science.gov (United States)

Ackerson, Bruce J.

2017-11-01

We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.

THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

International Nuclear Information System (INIS)

Mac Low, Mordecai-Mark; Glover, Simon C. O.

2012-01-01

Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H 2 from cold atomic gas. The formation timescale for H 2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H 2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H 2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H 2 . The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

The Abundance of Molecular Hydrogen and Its Correlation with Midplane Pressure in Galaxies: Non-equilibrium, Turbulent, Chemical Models

Science.gov (United States)

Mac Low, Mordecai-Mark; Glover, Simon C. O.

2012-02-01

Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R mol and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H2 from cold atomic gas. The formation timescale for H2 is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H2 formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H2 formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H2. The observed correlation of R mol with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R mol with density. If we examine the value of R mol in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

New self-similar radiation-hydrodynamics solutions in the high-energy density, equilibrium diffusion limit

International Nuclear Information System (INIS)

Lane, Taylor K; McClarren, Ryan G

2013-01-01

This work presents semi-analytic solutions to a radiation-hydrodynamics problem of a radiation source driving an initially cold medium. Our solutions are in the equilibrium diffusion limit, include material motion and allow for radiation-dominated situations where the radiation energy is comparable to (or greater than) the material internal energy density. As such, this work is a generalization of the classical Marshak wave problem that assumes no material motion and that the radiation energy is negligible. Including radiation energy density in the model serves to slow down the wave propagation. The solutions provide insight into the impact of radiation energy and material motion, as well as present a novel verification test for radiation transport packages. As a verification test, the solution exercises the radiation–matter coupling terms and their v/c treatment without needing a hydrodynamics solve. An example comparison between the self-similar solution and a numerical code is given. Tables of the self-similar solutions are also provided. (paper)

Effect of impurity radiation on tokamak equilibrium

International Nuclear Information System (INIS)

Rebut, P.H.; Green, B.J.

1977-01-01

The energy loss from a tokamak plasma due to the radiation from impurities is of great importance in the overall energy balance. Taking the temperature dependence of this loss for two impurities characteristic of those present in existing tokamak plasmas, the condition for radial power balance is derived. For the impurities considered (oxygen and iron) it is found that the radiation losses are concentrated in a thin outer layer of the plasma and the equilibrium condition places an upper limit on the plasma paraticle number density in this region. This limiting density scales with mean current density in the same manner as is experimentally observed for the peak number density of tokamak plasmas. The stability of such equilibria is also discussed. (author)

Asymptotic equilibrium diffusion analysis of time-dependent Monte Carlo methods for grey radiative transfer

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Larsen, Edward W.

2004-01-01

The equations of nonlinear, time-dependent radiative transfer are known to yield the equilibrium diffusion equation as the leading-order solution of an asymptotic analysis when the mean-free path and mean-free time of a photon become small. We apply this same analysis to the Fleck-Cummings, Carter-Forest, and N'kaoua Monte Carlo approximations for grey (frequency-independent) radiative transfer. Although Monte Carlo simulation usually does not require the discretizations found in deterministic transport techniques, Monte Carlo methods for radiative transfer require a time discretization due to the nonlinearities of the problem. If an asymptotic analysis of the equations used by a particular Monte Carlo method yields an accurate time-discretized version of the equilibrium diffusion equation, the method should generate accurate solutions if a time discretization is chosen that resolves temperature changes, even if the time steps are much larger than the mean-free time of a photon. This analysis is of interest because in many radiative transfer problems, it is a practical necessity to use time steps that are large compared to a mean-free time. Our asymptotic analysis shows that: (i) the N'kaoua method has the equilibrium diffusion limit, (ii) the Carter-Forest method has the equilibrium diffusion limit if the material temperature change during a time step is small, and (iii) the Fleck-Cummings method does not have the equilibrium diffusion limit. We include numerical results that verify our theoretical predictions

Non-equilibrium modelling of distillation

NARCIS (Netherlands)

Wesselingh, JA; Darton, R

1997-01-01

There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase

Non equilibrium atomic processes and plasma spectroscopy

International Nuclear Information System (INIS)

Kato, Takako

2003-01-01

Along with the technical progress in plasma spectroscopy, non equilibrium ionization processes have been recently observed. We study non local thermodynamic equilibrium and non ionization equilibrium for various kinds of plasmas. Specifically we discuss non equilibrium atomic processes in magnetically confined plasmas, solar flares and laser produced plasmas using a collisional radiative model based on plasma spectroscopic data. (author)

The application of equilibrium models to incidence situations using the example of the exposure pathway human milk

International Nuclear Information System (INIS)

Steiner, Martin; Karcher, Klaus; Nosske, Dietmar

2012-01-01

The radiation exposure after a short-term release of radioactive substances is often calculated assuming equilibrium conditions. An example is that of the German Incident Calculation Bases for nuclear power plants with pressurized water reactors. Here, the contamination of human milk is calculated using transfer factors. Applying this equilibrium model to incident situations raises the question whether baby's radiation exposure is adequately assessed. This contribution shows that compliance with the relevant dose limits of paragraph 49 of the German Radiation Protection Ordinance is ensured for design basis accidents on the assumption that the hypothetical breastfeeding period starts at the beginning of the activity release. Comparative analyses were performed against the biokinetic models applied by ICRP for radiation protection purposes, taking the reference nuclides 137 Cs, 90 Sr, 131 I, 241 Am and long-lived plutonium isotopes as examples. (orig.)

The application of equilibrium models to incidence situations using the example of the exposure pathway human milk

Energy Technology Data Exchange (ETDEWEB)

Steiner, Martin; Karcher, Klaus; Nosske, Dietmar [Bundesamt fuer Strahlenschutz, Oberschleissheim (Germany)

2012-06-15

The radiation exposure after a short-term release of radioactive substances is often calculated assuming equilibrium conditions. An example is that of the German Incident Calculation Bases for nuclear power plants with pressurized water reactors. Here, the contamination of human milk is calculated using transfer factors. Applying this equilibrium model to incident situations raises the question whether baby's radiation exposure is adequately assessed. This contribution shows that compliance with the relevant dose limits of paragraph 49 of the German Radiation Protection Ordinance is ensured for design basis accidents on the assumption that the hypothetical breastfeeding period starts at the beginning of the activity release. Comparative analyses were performed against the biokinetic models applied by ICRP for radiation protection purposes, taking the reference nuclides {sup 137}Cs, {sup 90}Sr, {sup 131}I, {sup 241}Am and long-lived plutonium isotopes as examples. (orig.)

Helical axis stellarator equilibrium model

International Nuclear Information System (INIS)

Koniges, A.E.; Johnson, J.L.

1985-02-01

An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift

A sensitivity study of radiative-convective equilibrium in the tropics with a convection-resolving model

Energy Technology Data Exchange (ETDEWEB)

Xu, K.M.; Randall, D.A.

1999-10-01

Statistical-equilibrium (SE) states of radiative-convective systems in tropical oceanic conditions are simulated with a cloud ensemble model (CEM) in this study. Typical large-scale conditions from the Marshall Islands and the eastern tropical Atlantic regions are used to drive the CEM. The simulated SE precipitable water, column temperature, and relative humidity are only slightly higher than those of the observed mean states in both regions when time-invariant large-scale total advective cooling and moistening effects are imposed from observations. They are much higher than the observed if time-invariant observed large-scale ascent is imposed for the Marshall Islands region (i.e., ignoring horizontal advective effects). Compared with results from two similar studies, this SE state is somewhere between the cold/dry regime by Sui et al. and the warm/humid regime by Grabowski et al. Temporal variations of the imposed large-scale vertical motion that allows for subsidence make the SE state colder and drier. It remains about the same, however, if the magnitude of the imposed large-scale vertical motion is halved. The SE state is also colder and drier if solar radiation is absent. In general, all the SE states show that wet columns are thermally more stable (unstable) and dry columns are thermally more unstable (stable) in the lower (upper) troposphere. Column budget analyses are performed to explore the differences among the simulations performed in this study and among the different studies.

NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

International Nuclear Information System (INIS)

Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit

2016-01-01

The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed

Micro Data and General Equilibrium Models

DEFF Research Database (Denmark)

Browning, Martin; Hansen, Lars Peter; Heckman, James J.

1999-01-01

Dynamic general equilibrium models are required to evaluate policies applied at the national level. To use these models to make quantitative forecasts requires knowledge of an extensive array of parameter values for the economy at large. This essay describes the parameters required for different...... economic models, assesses the discordance between the macromodels used in policy evaluation and the microeconomic models used to generate the empirical evidence. For concreteness, we focus on two general equilibrium models: the stochastic growth model extended to include some forms of heterogeneity...

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-07-01

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

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Ionization equilibrium and radiation losses of molybdenum in a high temperature plasma

International Nuclear Information System (INIS)

1976-11-01

The ionization equilibrium and the associated radiation losses of molybdenum have been calculated as a function of the electron temperature. In the 1-2keV range the computed fractional abundances are supported by experimental facts obtained in T.F.R. Tokamak plasmas

NON-EQUILIBRIUM IONIZATION MODELING OF THE CURRENT SHEET IN A SIMULATED SOLAR ERUPTION

International Nuclear Information System (INIS)

Shen Chengcai; Reeves, Katharine K.; Raymond, John C.; Murphy, Nicholas A.; Ko, Yuan-Kuen; Lin Jun; Mikić, Zoran; Linker, Jon A.

2013-01-01

The current sheet that extends from the top of flare loops and connects to an associated flux rope is a common structure in models of coronal mass ejections (CMEs). To understand the observational properties of CME current sheets, we generated predictions from a flare/CME model to be compared with observations. We use a simulation of a large-scale CME current sheet previously reported by Reeves et al. This simulation includes ohmic and coronal heating, thermal conduction, and radiative cooling in the energy equation. Using the results of this simulation, we perform time-dependent ionization calculations of the flow in a CME current sheet and construct two-dimensional spatial distributions of ionic charge states for multiple chemical elements. We use the filter responses from the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory and the predicted intensities of emission lines to compute the count rates for each of the AIA bands. The results show differences in the emission line intensities between equilibrium and non-equilibrium ionization. The current sheet plasma is underionized at low heights and overionized at large heights. At low heights in the current sheet, the intensities of the AIA 94 Å and 131 Å channels are lower for non-equilibrium ionization than for equilibrium ionization. At large heights, these intensities are higher for non-equilibrium ionization than for equilibrium ionization inside the current sheet. The assumption of ionization equilibrium would lead to a significant underestimate of the temperature low in the current sheet and overestimate at larger heights. We also calculate the intensities of ultraviolet lines and predict emission features to be compared with events from the Ultraviolet Coronagraph Spectrometer on the Solar and Heliospheric Observatory, including a low-intensity region around the current sheet corresponding to this model

High fidelity chemistry and radiation modeling for oxy -- combustion scenarios

Science.gov (United States)

Abdul Sater, Hassan A.

Dissipation Concept (EDC) employing a 41-step detailed chemistry mechanism, the non-adiabatic extension of the equilibrium Probability Density Function (PDF) based mixture-fraction model and a two-step global finite rate chemistry model with modified rate constants proposed to work well in oxy-methane flames. Based on the results from this section, the equilibrium PDF model in conjunction with a high-fidelity non-gray model for the radiative properties of the gas-phase may be deemed as accurate to capture the major gas species concentrations, temperatures and flame lengths in oxy-methane flames. The third section examines the variations in radiative transfer predictions due to the choice of chemistry and gas-phase radiative property models. The radiative properties were estimated employing four weighted-sum-of-gray-gases models (WSGGM) that were formulated employing different spectroscopic/model databases. An average variation of 14 -- 17% in the wall incident radiative fluxes was observed between the EDC and equilibrium mixture fraction chemistry models, due to differences in their temperature predictions within the flame. One-dimensional, line-of-sight radiation calculations showed a 15 -- 25 % reduction in the directional radiative fluxes at lower axial locations as a result of ignoring radiation from CO and CH4. Under the constraints of fixed temperature and species distributions, the flame radiant power estimates and average wall incident radiative fluxes varied by nearly 60% and 11% respectively among the different WSGG models.

Three-body radiative heat transfer and Casimir-Lifshitz force out of thermal equilibrium for arbitrary bodies

Science.gov (United States)

Messina, Riccardo; Antezza, Mauro

2014-05-01

We study the Casimir-Lifshitz force and the radiative heat transfer in a system consisting of three bodies held at three independent temperatures and immersed in a thermal environment, the whole system being in a stationary configuration out of thermal equilibrium. The theory we develop is valid for arbitrary bodies, i.e., for any set of temperatures, dielectric, and geometrical properties, and describes each body by means of its scattering operators. For the three-body system we provide a closed-form unified expression of the radiative heat transfer and of the Casimir-Lifshitz force (both in and out of thermal equilibrium). This expression is thus first applied to the case of three planar parallel slabs. In this context we discuss the nonadditivity of the force at thermal equilibrium, as well as the equilibrium temperature of the intermediate slab as a function of its position between two external slabs having different temperatures. Finally, we consider the force acting on an atom inside a planar cavity. We show that, differently from the equilibrium configuration, the absence of thermal equilibrium admits one or more positions of minima for the atomic potential. While the corresponding atomic potential depths are very small for typical ground-state atoms, they may become particularly relevant for Rydberg atoms, becoming a promising tool to produce an atomic trap.

Statistical equilibrium calculations for silicon in early-type model stellar atmospheres

International Nuclear Information System (INIS)

Kamp, L.W.

1976-02-01

Line profiles of 36 multiplets of silicon (Si) II, III, and IV were computed for a grid of model atmospheres covering the range from 15,000 to 35,000 K in effective temperature and 2.5 to 4.5 in log (gravity). The computations involved simultaneous solution of the steady-state statistical equilibrium equations for the populations and of the equation of radiative transfer in the lines. The variables were linearized, and successive corrections were computed until a minimal accuracy of 1/1000 in the line intensities was reached. The common assumption of local thermodynamic equilibrium (LTE) was dropped. The model atmospheres used also were computed by non-LTE methods. Some effects that were incorporated into the calculations were the depression of the continuum by free electrons, hydrogen and ionized helium line blocking, and auto-ionization and dielectronic recombination, which later were found to be insignificant. Use of radiation damping and detailed electron (quadratic Stark) damping constants had small but significant effects on the strong resonance lines of Si III and IV. For weak and intermediate-strength lines, large differences with respect to LTE computations, the results of which are also presented, were found in line shapes and strengths. For the strong lines the differences are generally small, except for the models at the hot, low-gravity extreme of the range. These computations should be useful in the interpretation of the spectra of stars in the spectral range B0--B5, luminosity classes III, IV, and V

Geomagnetic polarity reversals as a mechanism for the punctuated equilibrium model of biological evolution

International Nuclear Information System (INIS)

Welsh, J.S.; Welsh, A.L.; Welsh, W.F.

2003-01-01

In contrast to what is predicted by classical Darwinian theory (phyletic gradualism), the fossil record typically displays a pattern of relatively sudden, dramatic changes as detailed by Eldregde and Gould's model of punctuated equilibrium. Evolutionary biologists have been at a loss to explain the ultimate source of the new mutations that drive evolution. One hypothesis holds that the abrupt speciation seen in the punctuated equilibrium model is secondary to an increased mutation rate resulting from periodically increased levels of ionizing radiation on the Earth's surface. Sporadic geomagnetic pole reversals, occurring every few million years on the average, are accompanied by alterations in the strength of the Earth's magnetic field and magnetosphere. This diminution may allow charged cosmic radiation to bombard Earth with less attenuation, thereby resulting in increased mutation rates. This episodic fluctuation in the magnetosphere is an attractive mechanism for the observed fossil record. Selected periods and epochs of geologic history for which data was available were reviewed for both geomagnetic pole reversal history and fossil record. Anomalies in either were scrutinized in greater depth and correlations were made. A 35 million year span (118-83 Ma) was identified during the Early/Middle Cretaceous period that was devoid of geomagnetic polarity reversals(the Cretaceous normal superchron). Examination of the fossil record (including several invertebrate and vertebrate taxons) during the Cretaceous normal superchron does not reveal any significant gap or slowing of speciation. Although increased terrestrial radiation exposure due to a diminution of the Earth's magnetosphere caused by a reversal of geomagnetic polarity is an attractive explanation for the mechanism of punctuated equilibrium, our investigation suggests that such polarity reversals cannot fully provide the driving force behind biological evolution. Further research is required to determine if

Implicit Monte Carlo methods and non-equilibrium Marshak wave radiative transport

International Nuclear Information System (INIS)

Lynch, J.E.

1985-01-01

Two enhancements to the Fleck implicit Monte Carlo method for radiative transport are described, for use in transparent and opaque media respectively. The first introduces a spectral mean cross section, which applies to pseudoscattering in transparent regions with a high frequency incident spectrum. The second provides a simple Monte Carlo random walk method for opaque regions, without the need for a supplementary diffusion equation formulation. A time-dependent transport Marshak wave problem of radiative transfer, in which a non-equilibrium condition exists between the radiation and material energy fields, is then solved. These results are compared to published benchmark solutions and to new discrete ordinate S-N results, for both spatially integrated radiation-material energies versus time and to new spatially dependent temperature profiles. Multigroup opacities, which are independent of both temperature and frequency, are used in addition to a material specific heat which is proportional to the cube of the temperature. 7 refs., 4 figs

Effects of sea surface temperature, cloud radiative and microphysical processes, and diurnal variations on rainfall in equilibrium cloud-resolving model simulations

International Nuclear Information System (INIS)

Jiang Zhe; Li Xiao-Fan; Zhou Yu-Shu; Gao Shou-Ting

2012-01-01

The effects of sea surface temperature (SST), cloud radiative and microphysical processes, and diurnal variations on rainfall statistics are documented with grid data from the two-dimensional equilibrium cloud-resolving model simulations. For a rain rate of higher than 3 mm·h −1 , water vapor convergence prevails. The rainfall amount decreases with the decrease of SST from 29 °C to 27 °C, the inclusion of diurnal variation of SST, or the exclusion of microphysical effects of ice clouds and radiative effects of water clouds, which are primarily associated with the decreases in water vapor convergence. However, the amount of rainfall increases with the increase of SST from 29 °C to 31 °C, the exclusion of diurnal variation of solar zenith angle, and the exclusion of the radiative effects of ice clouds, which are primarily related to increases in water vapor convergence. For a rain rate of less than 3 mm·h −1 , water vapor divergence prevails. Unlike rainfall statistics for rain rates of higher than 3 mm·h −1 , the decrease of SST from 29 °C to 27 °C and the exclusion of radiative effects of water clouds in the presence of radiative effects of ice clouds increase the rainfall amount, which corresponds to the suppression in water vapor divergence. The exclusion of microphysical effects of ice clouds decreases the amount of rainfall, which corresponds to the enhancement in water vapor divergence. The amount of rainfall is less sensitive to the increase of SST from 29 °C to 31 °C and to the radiative effects of water clouds in the absence of the radiative effects of ice clouds. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Transition from equilibrium ignition to non-equilibrium burn for ICF capsules surrounded by a high-Z pusher

International Nuclear Information System (INIS)

Li, Ji W.; Chang, Lei; Li, Yun S.; Li, Jing H.

2011-01-01

For the ICF capsule surrounded by a high-Z pusher which traps the radiation and confines the hot fuel, the fuel will first be ignited in thermal equilibrium with radiation at a much lower temperature than hot-spot ignition, which is also the low temperature ignition. Because of the lower areal density for ICF capsules, the equilibrium ignition must be developed into a non-equilibrium burn to shorten the reaction time and lower the drive energy. In this paper, the transition from the equilibrium ignition to non-equilibrium burn is discussed and the energy deposited by α particles required for the equilibrium ignition and non-equilibrium burn to occur is estimated.

The DART general equilibrium model: A technical description

OpenAIRE

Springer, Katrin

1998-01-01

This paper provides a technical description of the Dynamic Applied Regional Trade (DART) General Equilibrium Model. The DART model is a recursive dynamic, multi-region, multi-sector computable general equilibrium model. All regions are fully specified and linked by bilateral trade flows. The DART model can be used to project economic activities, energy use and trade flows for each of the specified regions to simulate various trade policy as well as environmental policy scenarios, and to analy...

Local thermodynamic equilibrium in a laser-induced plasma evidenced by blackbody radiation

Science.gov (United States)

Hermann, Jörg; Grojo, David; Axente, Emanuel; Craciun, Valentin

2018-06-01

We show that the plasma produced by laser ablation of solid materials in specific conditions has an emission spectrum that is characterized by the saturation of the most intense spectral lines at the blackbody radiance. The blackbody temperature equals the excitation temperature of atoms and ions, proving directly and unambiguously a plasma in local thermodynamic equilibrium. The present investigations take benefit from the very rich and intense emission spectrum generated by ablation of a nickel-chromium-molybdenum alloy. This alternative and direct proof of the plasma equilibrium state re-opens the perspectives of quantitative material analyses via calibration-free laser-induced breakdown spectroscopy. Moreover, the unique properties of this laser-produced plasma promote its use as radiation standard for intensity calibration of spectroscopic instruments.

Non-Equilibrium Turbulence and Two-Equation Modeling

Science.gov (United States)

Rubinstein, Robert

2011-01-01

Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

Phylogenies support out-of-equilibrium models of biodiversity.

Science.gov (United States)

Manceau, Marc; Lambert, Amaury; Morlon, Hélène

2015-04-01

There is a long tradition in ecology of studying models of biodiversity at equilibrium. These models, including the influential Neutral Theory of Biodiversity, have been successful at predicting major macroecological patterns, such as species abundance distributions. But they have failed to predict macroevolutionary patterns, such as those captured in phylogenetic trees. Here, we develop a model of biodiversity in which all individuals have identical demographic rates, metacommunity size is allowed to vary stochastically according to population dynamics, and speciation arises naturally from the accumulation of point mutations. We show that this model generates phylogenies matching those observed in nature if the metacommunity is out of equilibrium. We develop a likelihood inference framework that allows fitting our model to empirical phylogenies, and apply this framework to various mammalian families. Our results corroborate the hypothesis that biodiversity dynamics are out of equilibrium. © 2015 John Wiley & Sons Ltd/CNRS.

The tropical water and energy cycles in a cumulus ensemble model. Part 1: Equilibrium climate

Science.gov (United States)

Sui, C. H.; Lau, K. M.; Tao, W. K.; Simpson, J.

1994-01-01

A cumulus ensemble model is used to study the tropical water and energy cycles and their role in the climate system. The model includes cloud dynamics, radiative processes, and microphysics that incorporate all important production and conversion processes among water vapor and five species of hydrometeors. Radiative transfer in clouds is parameterized based on cloud contents and size distributions of each bulk hydrometeor. Several model integrations have been carried out under a variety of imposed boundary and large-scale conditions. In Part 1 of this paper, the primary focus is on the water and heat budgets of the control experiment, which is designed to simulate the convective - radiative equilibrium response of the model to an imposed vertical velocity and a fixed sea surface temperature at 28 C. The simulated atmosphere is conditionally unstable below the freezing level and close to neutral above the freezing level. The equilibrium water budget shows that the total moisture source, M(sub s), which is contributed by surface evaporation (0.24 M(sub s)) and the large-scale advection (0.76 M(sub s)), all converts to mean surface precipitation bar-P(sub s). Most of M(sub s) is transported verticaly in convective regions where much of the condensate is generated and falls to surface (0.68 bar-P(sub s)). The remaining condensate detrains at a rate of 0.48 bar-P(sub s) and constitutes 65% of the source for stratiform clouds above the melting level. The upper-level stratiform cloud dissipates into clear environment at a rate of 0.14 bar-P(sub s), which is a significant moisture source comparable to the detrained water vapor (0.15 bar-P(sub s)) to the upper troposphere from convective clouds. In the lower troposphere, stratiform clouds evaporate at a rate of 0.41 bar-P(sub s), which is a more dominant moisture source than surface evaporation (0.22 bar-P(sub s)). The precipitation falling to the surface in the stratiform region is about 0.32 bar-P(sub s). The associated

Parameter Estimation for a Computable General Equilibrium Model

DEFF Research Database (Denmark)

Arndt, Channing; Robinson, Sherman; Tarp, Finn

We introduce a maximum entropy approach to parameter estimation for computable general equilibrium (CGE) models. The approach applies information theory to estimating a system of nonlinear simultaneous equations. It has a number of advantages. First, it imposes all general equilibrium constraints...

On non-equilibrium states in QFT model with boundary interaction

International Nuclear Information System (INIS)

Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Zamolodchikov, Alexander B.

1999-01-01

We prove that certain non-equilibrium expectation values in the boundary sine-Gordon model coincide with associated equilibrium-state expectation values in the systems which differ from the boundary sine-Gordon in that certain extra boundary degrees of freedom (q-oscillators) are added. Applications of this result to actual calculation of non-equilibrium characteristics of the boundary sine-Gordon model are also discussed

Parameter Estimation for a Computable General Equilibrium Model

DEFF Research Database (Denmark)

Arndt, Channing; Robinson, Sherman; Tarp, Finn

2002-01-01

We introduce a maximum entropy approach to parameter estimation for computable general equilibrium (CGE) models. The approach applies information theory to estimating a system of non-linear simultaneous equations. It has a number of advantages. First, it imposes all general equilibrium constraints...

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

Science.gov (United States)

Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

2013-01-01

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

A self-consistent model of a thermally balanced quiescent prominence in magnetostatic equilibrium in a uniform gravitational field

International Nuclear Information System (INIS)

Lerche, I.; Low, B.C.

1977-01-01

A theoretical model of quiescent prominences in the form of an infinite vertical sheet is presented. Self-consistent solutions are obtained by integrating simultaneously the set of nonlinear equations of magnetostatic equilibrium and thermal balance. The basic features of the models are: (1) The prominence matter is confined to a sheet and supported against gravity by a bowed magnetic field. (2) The thermal flux is channelled along magnetic field lines. (3) The thermal flux is everywhere balanced by Low's (1975) hypothetical heat sink which is proportional to the local density. (4) A constant component of the magnetic field along the length of the prominence shields the cool plasma from the hot surrounding. It is assumed that the prominence plasma emits more radiation than it absorbes from the radiation fields of the photosphere, chromosphere and corona, and the above hypothetical heat sink is interpreted to represent the amount of radiative loss that must be balanced by a nonradiative energy input. Using a central density and temperature of 10 11 particles cm -3 and 5000 K respectively, a magnetic field strength between 2 to 10 gauss and a thermal conductivity that varies linearly with temperature, the physical properties implied by the model are discussed. The analytic treatment can also be carried out for a class of more complex thermal conductivities. These models provide a useful starting point for investigating the combined requirements of magnetostatic equilibrium and thermal balance in the quiescent prominence. (Auth.)

Electricity market equilibrium model with resource constraint and transmission congestion

Energy Technology Data Exchange (ETDEWEB)

Gao, F. [ABB, Inc., Santa Clara, CA 95050 (United States); Sheble, G.B. [Portland State University, Portland, OR 97207 (United States)

2010-01-15

Electricity market equilibrium model not only helps Independent System Operator/Regulator analyze market performance and market power, but also provides Market Participants the ability to build optimal bidding strategies based on Microeconomics analysis. Supply Function Equilibrium (SFE) is attractive compared to traditional models and many efforts have been made on it before. However, most past research focused on a single-period, single-market model and did not address the fact that GENCOs hold a portfolio of assets in both electricity and fuel markets. This paper first identifies a proper SFE model, which can be applied to a multiple-period situation. Then the paper develops the equilibrium condition using discrete time optimal control considering fuel resource constraints. Finally, the paper discusses the issues of multiple equilibria caused by transmission network and shows that a transmission constrained equilibrium may exist, however the shadow price may not be zero. Additionally, an advantage from the proposed model for merchant transmission planning is discussed. (author)

Electricity market equilibrium model with resource constraint and transmission congestion

International Nuclear Information System (INIS)

Gao, F.; Sheble, G.B.

2010-01-01

Electricity market equilibrium model not only helps Independent System Operator/Regulator analyze market performance and market power, but also provides Market Participants the ability to build optimal bidding strategies based on Microeconomics analysis. Supply Function Equilibrium (SFE) is attractive compared to traditional models and many efforts have been made on it before. However, most past research focused on a single-period, single-market model and did not address the fact that GENCOs hold a portfolio of assets in both electricity and fuel markets. This paper first identifies a proper SFE model, which can be applied to a multiple-period situation. Then the paper develops the equilibrium condition using discrete time optimal control considering fuel resource constraints. Finally, the paper discusses the issues of multiple equilibria caused by transmission network and shows that a transmission constrained equilibrium may exist, however the shadow price may not be zero. Additionally, an advantage from the proposed model for merchant transmission planning is discussed. (author)

A moving mesh finite difference method for equilibrium radiation diffusion equations

Energy Technology Data Exchange (ETDEWEB)

Yang, Xiaobo, E-mail: xwindyb@126.com [Department of Mathematics, College of Science, China University of Mining and Technology, Xuzhou, Jiangsu 221116 (China); Huang, Weizhang, E-mail: whuang@ku.edu [Department of Mathematics, University of Kansas, Lawrence, KS 66045 (United States); Qiu, Jianxian, E-mail: jxqiu@xmu.edu.cn [School of Mathematical Sciences and Fujian Provincial Key Laboratory of Mathematical Modeling and High-Performance Scientific Computing, Xiamen University, Xiamen, Fujian 361005 (China)

2015-10-01

An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativity of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation.

A moving mesh finite difference method for equilibrium radiation diffusion equations

International Nuclear Information System (INIS)

Yang, Xiaobo; Huang, Weizhang; Qiu, Jianxian

2015-01-01

An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativity of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation

The lagRST Model: A Turbulence Model for Non-Equilibrium Flows

Science.gov (United States)

Lillard, Randolph P.; Oliver, A. Brandon; Olsen, Michael E.; Blaisdell, Gregory A.; Lyrintzis, Anastasios S.

2011-01-01

This study presents a new class of turbulence model designed for wall bounded, high Reynolds number flows with separation. The model addresses deficiencies seen in the modeling of nonequilibrium turbulent flows. These flows generally have variable adverse pressure gradients which cause the turbulent quantities to react at a finite rate to changes in the mean flow quantities. This "lag" in the response of the turbulent quantities can t be modeled by most standard turbulence models, which are designed to model equilibrium turbulent boundary layers. The model presented uses a standard 2-equation model as the baseline for turbulent equilibrium calculations, but adds transport equations to account directly for non-equilibrium effects in the Reynolds Stress Tensor (RST) that are seen in large pressure gradients involving shock waves and separation. Comparisons are made to several standard turbulence modeling validation cases, including an incompressible boundary layer (both neutral and adverse pressure gradients), an incompressible mixing layer and a transonic bump flow. In addition, a hypersonic Shock Wave Turbulent Boundary Layer Interaction with separation is assessed along with a transonic capsule flow. Results show a substantial improvement over the baseline models for transonic separated flows. The results are mixed for the SWTBLI flows assessed. Separation predictions are not as good as the baseline models, but the over prediction of the peak heat flux downstream of the reattachment shock that plagues many models is reduced.

Incorporation of the equilibrium temperature approach in a Soil and Water Assessment Tool hydroclimatological stream temperature model

Science.gov (United States)

Du, Xinzhong; Shrestha, Narayan Kumar; Ficklin, Darren L.; Wang, Junye

2018-04-01

Stream temperature is an important indicator for biodiversity and sustainability in aquatic ecosystems. The stream temperature model currently in the Soil and Water Assessment Tool (SWAT) only considers the impact of air temperature on stream temperature, while the hydroclimatological stream temperature model developed within the SWAT model considers hydrology and the impact of air temperature in simulating the water-air heat transfer process. In this study, we modified the hydroclimatological model by including the equilibrium temperature approach to model heat transfer processes at the water-air interface, which reflects the influences of air temperature, solar radiation, wind speed and streamflow conditions on the heat transfer process. The thermal capacity of the streamflow is modeled by the variation of the stream water depth. An advantage of this equilibrium temperature model is the simple parameterization, with only two parameters added to model the heat transfer processes. The equilibrium temperature model proposed in this study is applied and tested in the Athabasca River basin (ARB) in Alberta, Canada. The model is calibrated and validated at five stations throughout different parts of the ARB, where close to monthly samplings of stream temperatures are available. The results indicate that the equilibrium temperature model proposed in this study provided better and more consistent performances for the different regions of the ARB with the values of the Nash-Sutcliffe Efficiency coefficient (NSE) greater than those of the original SWAT model and the hydroclimatological model. To test the model performance for different hydrological and environmental conditions, the equilibrium temperature model was also applied to the North Fork Tolt River Watershed in Washington, United States. The results indicate a reasonable simulation of stream temperature using the model proposed in this study, with minimum relative error values compared to the other two models

A Comparison of the Computation Times of Thermal Equilibrium and Non-equilibrium Models of Droplet Field in a Two-Fluid Three-Field Model

Energy Technology Data Exchange (ETDEWEB)

Park, Ik Kyu; Cho, Heong Kyu; Kim, Jong Tae; Yoon, Han Young; Jeong, Jae Jun

2007-12-15

A computational model for transient, 3 dimensional 2 phase flows was developed by using 'unstructured-FVM-based, non-staggered, semi-implicit numerical scheme' considering the thermally non-equilibrium droplets. The assumption of the thermally equilibrium between liquid and droplets of previous studies was not used any more, and three energy conservation equations for vapor, liquid, liquid droplets were set up. Thus, 9 conservation equations for mass, momentum, and energy were established to simulate 2 phase flows. In this report, the governing equations and a semi-implicit numerical sheme for a transient 1 dimensional 2 phase flows was described considering the thermally non-equilibrium between liquid and liquid droplets. The comparison with the previous model considering the thermally non-equilibrium between liquid and liquid droplets was also reported.

A two dimensional modeling study of the sensitivity of ozone to radiative flux uncertainties

International Nuclear Information System (INIS)

Grant, K.E.; Wuebbles, D.J.

1988-08-01

Radiative processes strongly effect equilibrium trace gas concentrations both directly, through photolysis reactions, and indirectly through temperature and transport processes. We have used the LLNL 2-D chemical-radiative-transport model to investigate the net sensitivity of equilibrium ozone concentrations to several changes in radiative forcing. Doubling CO 2 from 300 ppmv to 600 ppmv resulted in a temperature decrease of 5 K to 8 K in the middle stratosphere along with an 8% to 16% increase in ozone in the same region. Replacing our usual shortwave scattering algorithms with a simplified Rayleigh algorithm led to a 1% to 2% increase in ozone in the lower stratosphere. Finally, modifying our normal CO 2 cooling rates by corrections derived from line-by-line calculations resulted in several regions of heating and cooling. We observed temperature changes on the order of 1 K to 1.5 K with corresponding changes of 0.5% to 1.5% in O 3 . Our results for doubled CO 2 compare favorably with those by other authors. Results for our two perturbation scenarios stress the need for accurately modeling radiative processes while confirming the general validity of current models. 15 refs., 5 figs

Expansion dynamics and equilibrium conditions in a laser ablation plume of lithium: Modeling and experiment

International Nuclear Information System (INIS)

Stapleton, M.W.; McKiernan, A.P.; Mosnier, J.-P.

2005-01-01

The gas dynamics and atomic kinetics of a laser ablation plume of lithium, expanding adiabatically in vacuum, are included in a numerical model, using isothermal and isentropic self-similar analytical solutions and steady-state collisional radiative equations, respectively. Measurements of plume expansion dynamics using ultrafast imaging for various laser wavelengths (266-1064 nm), fluences (2-6.5 J cm -2 ), and spot sizes (50-1000 μm) are performed to provide input parameters for the model and, thereby, study the influence of laser spot size, wavelength, and fluence, respectively, on both the plume expansion dynamics and atomic kinetics. Target recoil pressure, which clearly affects plume dynamics, is included in the model. The effects of laser wavelength and spot size on plume dynamics are discussed in terms of plasma absorption of laser light. A transition from isothermal to isentropic behavior for spot sizes greater than 50 μm is clearly evidenced. Equilibrium conditions are found to exist only up to 300 ns after the plume creation, while complete local thermodynamic equilibrium is found to be confined to the very early parts of the expansion

Equilibrium Price Dispersion in a Matching Model with Divisible Money

NARCIS (Netherlands)

Kamiya, K.; Sato, T.

2002-01-01

The main purpose of this paper is to show that, for any given parameter values, an equilibrium with dispersed prices (two-price equilibrium) exists in a simple matching model with divisible money presented by Green and Zhou (1998).We also show that our two-price equilibrium is unique in certain

AN ANALYTIC RADIATIVE-CONVECTIVE MODEL FOR PLANETARY ATMOSPHERES

International Nuclear Information System (INIS)

Robinson, Tyler D.; Catling, David C.

2012-01-01

We present an analytic one-dimensional radiative-convective model of the thermal structure of planetary atmospheres. Our model assumes that thermal radiative transfer is gray and can be represented by the two-stream approximation. Model atmospheres are assumed to be in hydrostatic equilibrium, with a power-law scaling between the atmospheric pressure and the gray thermal optical depth. The convective portions of our models are taken to follow adiabats that account for condensation of volatiles through a scaling parameter to the dry adiabat. By combining these assumptions, we produce simple, analytic expressions that allow calculations of the atmospheric-pressure-temperature profile, as well as expressions for the profiles of thermal radiative flux and convective flux. We explore the general behaviors of our model. These investigations encompass (1) worlds where atmospheric attenuation of sunlight is weak, which we show tend to have relatively high radiative-convective boundaries; (2) worlds with some attenuation of sunlight throughout the atmosphere, which we show can produce either shallow or deep radiative-convective boundaries, depending on the strength of sunlight attenuation; and (3) strongly irradiated giant planets (including hot Jupiters), where we explore the conditions under which these worlds acquire detached convective regions in their mid-tropospheres. Finally, we validate our model and demonstrate its utility through comparisons to the average observed thermal structure of Venus, Jupiter, and Titan, and by comparing computed flux profiles to more complex models.

The effects of massive graviton on the equilibrium between the black hole and radiation gas in an isolated box

Directory of Open Access Journals (Sweden)

Ya-Peng Hu

2017-09-01

Full Text Available It is well known that the black hole can have temperature and radiate the particles with black body spectrum, i.e. Hawking radiation. Therefore, if the black hole is surrounded by an isolated box, there is a thermal equilibrium between the black hole and radiation gas. A simple case considering the thermal equilibrium between the Schwarzschild black hole and radiation gas in an isolated box has been well investigated previously in detail, i.e. taking the conservation of energy and principle of maximal entropy for the isolated system into account. In this paper, following the above spirit, the effects of massive graviton on the thermal equilibrium will be investigated. For the gravity with massive graviton, we will use the de Rham–Gabadadze–Tolley (dRGT massive gravity which has been proven to be ghost free. Because the graviton mass depends on two parameters in the dRGT massive gravity, here we just investigate two simple cases related to the two parameters, respectively. Our results show that in the first case the massive graviton can suppress or increase the condensation of black hole in the radiation gas although the T–E diagram is similar as the Schwarzschild black hole case. For the second case, a new T–E diagram has been obtained. Moreover, an interesting and important prediction is that the condensation of black hole just increases from the zero radius of horizon in this case, which is very different from the Schwarzschild black hole case.

On the equilibrium of a black hole in a radiation-filled cavity

International Nuclear Information System (INIS)

Wilkins, D.

1979-01-01

By using the horizon entropy, Hawking showed that a stable black hole will form inside a radiation cavity of finite energy E and small enough volume, V 10 years is negligible. Second, any such hole should not be in equilibrium, let alone stable; it should evaporate away again because the radiation, with typical wavelength approximately 16 times larger than the hole, can hardly be accreted. Study of the combined accretion and evaporation resolves the difficulty. It confirms the prediction of stability and it does so without appeal to the concept of horizon entropy. A state of pure radiation is actually favored over one including a hole when 1 >= V/Vsub(h) > 0.2556, but the reverse holds for smaller cavity volumes. The horizon entropy of a black hole plays a natural role; it helps determine the system's evolution and equilibria through the condition that the total entropy of hole plus radiation always tends to increase. Using the known temperature of the hole and the fact (deduced from the accretion formula) that energy flows from the hot body to the cold, one easily inverts the reasoning to derive a unique value for the black-hole entropy. (author)

Modeling of two-phase flow with thermal and mechanical non-equilibrium

International Nuclear Information System (INIS)

Houdayer, G.; Pinet, B.; Le Coq, G.; Reocreux, M.; Rousseau, J.C.

1977-01-01

To improve two-phase flow modeling by taking into account thermal and mechanical non-equilibrium a joint effort on analytical experiment and physical modeling has been undertaken. A model describing thermal non-equilibrium effects is first presented. A correlation of mass transfer has been developed using steam water critical flow tests. This model has been used to predict in a satisfactory manner blowdown tests. It has been incorporated in CLYSTERE system code. To take into account mechanical non-equilibrium, a six equations model is written. To get information on the momentum transfers special nitrogen-water tests have been undertaken. The first results of these studies are presented

Models of supply function equilibrium with applications to the electricity industry

Science.gov (United States)

Aromi, J. Daniel

Electricity market design requires tools that result in a better understanding of incentives of generators and consumers. Chapter 1 and 2 provide tools and applications of these tools to analyze incentive problems in electricity markets. In chapter 1, models of supply function equilibrium (SFE) with asymmetric bidders are studied. I prove the existence and uniqueness of equilibrium in an asymmetric SFE model. In addition, I propose a simple algorithm to calculate numerically the unique equilibrium. As an application, a model of investment decisions is considered that uses the asymmetric SFE as an input. In this model, firms can invest in different technologies, each characterized by distinct variable and fixed costs. In chapter 2, option contracts are introduced to a supply function equilibrium (SFE) model. The uniqueness of the equilibrium in the spot market is established. Comparative statics results on the effect of option contracts on the equilibrium price are presented. A multi-stage game where option contracts are traded before the spot market stage is considered. When contracts are optimally procured by a central authority, the selected profile of option contracts is such that the spot market price equals marginal cost for any load level resulting in a significant reduction in cost. If load serving entities (LSEs) are price takers, in equilibrium, there is no trade of option contracts. Even when LSEs have market power, the central authority's solution cannot be implemented in equilibrium. In chapter 3, we consider a game in which a buyer must repeatedly procure an input from a set of firms. In our model, the buyer is able to sign long term contracts that establish the likelihood with which the next period contract is awarded to an entrant or the incumbent. We find that the buyer finds it optimal to favor the incumbent, this generates more intense competition between suppliers. In a two period model we are able to completely characterize the optimal mechanism.

The rational expectations equilibrium inventory model theory and applications

CERN Document Server

1989-01-01

This volume consists of six essays that develop and/or apply "rational expectations equilibrium inventory models" to study the time series behavior of production, sales, prices, and inventories at the industry level. By "rational expectations equilibrium inventory model" I mean the extension of the inventory model of Holt, Modigliani, Muth, and Simon (1960) to account for: (i) discounting, (ii) infinite horizon planning, (iii) observed and unobserved by the "econometrician" stochastic shocks in the production, factor adjustment, storage, and backorders management processes of firms, as well as in the demand they face for their products; and (iv) rational expectations. As is well known according to the Holt et al. model firms hold inventories in order to: (a) smooth production, (b) smooth production changes, and (c) avoid stockouts. Following the work of Zabel (1972), Maccini (1976), Reagan (1982), and Reagan and Weitzman (1982), Blinder (1982) laid the foundations of the rational expectations equilibrium inve...

Sensitivity of a two-dimensional chemistry-transport model to changes in parameterizations of radiative processes

International Nuclear Information System (INIS)

Grant, K.E.; Ellingson, R.G.; Wuebbles, D.J.

1988-08-01

Radiative processes strongly effect equilibrium trace gas concentrations both directly, through photolysis reactions, and indirectly through temperature and transport processes. As part of our continuing radiative submodel development and validation, we have used the LLNL 2-D chemical-radiative-transport (CRT) model to investigate the net sensitivity of equilibrium ozone concentrations to several changes in radiative forcing. Doubling CO 2 from 300 ppmv to 600 ppmv resulted in a temperature decrease of 5 K to 8 K in the middle stratosphere along with an 8% to 16% increase in ozone in the same region. Replacing our usual shortwave scattering algorithms with a simplified Rayleigh algorithm led to a 1% to 2% increase in ozone in the lower stratosphere. Finally, modifying our normal CO 2 cooling rates by corrections derived from line-by-line calculations resulted in several regions of heating and cooling. We observed temperature changes on the order of 1 K to 1.5 K with corresponding changes of 0.5% to 1.5% in O 3 . Our results for doubled CO 2 compare favorably with those by other authors. Results for our two perturbation scenarios stress the need for accurately modeling radiative processes while confirming the general validity of current 2-D CRT models. 15 refs., 5 figs

A collisional-radiative average atom model for hot plasmas

International Nuclear Information System (INIS)

Rozsnyai, B.F.

1996-01-01

A collisional-radiative 'average atom' (AA) model is presented for the calculation of opacities of hot plasmas not in the condition of local thermodynamic equilibrium (LTE). The electron impact and radiative rate constants are calculated using the dipole oscillator strengths of the average atom. A key element of the model is the photon escape probability which at present is calculated for a semi infinite slab. The Fermi statistics renders the rate equation for the AA level occupancies nonlinear, which requires iterations until the steady state. AA level occupancies are found. Detailed electronic configurations are built into the model after the self-consistent non-LTE AA state is found. The model shows a continuous transition from the non-LTE to the LTE state depending on the optical thickness of the plasma. 22 refs., 13 figs., 1 tab

Thermochemical equilibrium modelling of a gasifying process

International Nuclear Information System (INIS)

Melgar, Andres; Perez, Juan F.; Laget, Hannes; Horillo, Alfonso

2007-01-01

This article discusses a mathematical model for the thermochemical processes in a downdraft biomass gasifier. The model combines the chemical equilibrium and the thermodynamic equilibrium of the global reaction, predicting the final composition of the producer gas as well as its reaction temperature. Once the composition of the producer gas is obtained, a range of parameters can be derived, such as the cold gas efficiency of the gasifier, the amount of dissociated water in the process and the heating value and engine fuel quality of the gas. The model has been validated experimentally. This work includes a parametric study of the influence of the gasifying relative fuel/air ratio and the moisture content of the biomass on the characteristics of the process and the producer gas composition. The model helps to predict the behaviour of different biomass types and is a useful tool for optimizing the design and operation of downdraft biomass gasifiers

Non-equilibrium scaling analysis of the Kondo model with voltage bias

International Nuclear Information System (INIS)

Fritsch, Peter; Kehrein, Stefan

2009-01-01

The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the β-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Choking flow modeling with mechanical and thermal non-equilibrium

Energy Technology Data Exchange (ETDEWEB)

Yoon, H.J.; Ishii, M.; Revankar, S.T. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

2006-01-15

The mechanistic model, which considers the mechanical and thermal non-equilibrium, is described for two-phase choking flow. The choking mass flux is obtained from the momentum equation with the definition of choking. The key parameter for the mechanical non-equilibrium is a slip ratio. The dependent parameters for the slip ratio are identified. In this research, the slip ratio which is defined in the drift flux model is used to identify the impact parameters on the slip ratio. Because the slip ratio in the drift flux model is related to the distribution parameter and drift velocity, the adequate correlations depending on the flow regime are introduced in this study. For the thermal non-equilibrium, the model is developed with bubble conduction time and Bernoulli choking model. In case of highly subcooled water compared to the inlet pressure, the Bernoulli choking model using the pressure undershoot is used because there is no bubble generation in the test section. When the phase change happens inside the test section, two-phase choking model with relaxation time calculates the choking mass flux. According to the comparison of model prediction with experimental data shows good agreement. The developed model shows good prediction in both low and high pressure ranges. (author)

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

International Nuclear Information System (INIS)

Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

2015-01-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Plasma equilibrium response modelling and validation on JT-60U

International Nuclear Information System (INIS)

Lister, J.B.; Sharma, A.; Limebeer, D.J.N.; Wainwright, J.P.; Nakamura, Y.; Yoshino, R.

2002-01-01

A systematic procedure to identify the plasma equilibrium response to the poloidal field coil voltages has been applied to the JT-60U tokamak. The required response was predicted with a high accuracy by a state-space model derived from first principles. The ab initio derivation of linearized plasma equilibrium response models is re-examined using an approach standard in analytical mechanics. A symmetric formulation is naturally obtained, removing a previous weakness in such models. RZIP, a rigid current distribution model, is re-derived using this approach and is compared with the new experimental plasma equilibrium response data obtained from Ohmic and neutral beam injection discharges in the JT-60U tokamak. In order to remove any bias from the comparison between modelled and measured plasma responses, the electromagnetic response model without plasma was first carefully tuned against experimental data, using a parametric approach, for which different cost functions for quantifying model agreement were explored. This approach additionally provides new indications of the accuracy to which various plasma parameters are known, and to the ordering of physical effects. Having taken these precautions when tuning the plasmaless model, an empirical estimate of the plasma self-inductance, the plasma resistance and its radial derivative could be established and compared with initial assumptions. Off-line tuning of the JT-60U controller is presented as an example of the improvements which might be obtained by using such a model of the plasma equilibrium response. (author)

Two-temperature chemically non-equilibrium modelling of transferred arcs

International Nuclear Information System (INIS)

Baeva, M; Kozakov, R; Gorchakov, S; Uhrlandt, D

2012-01-01

A two-temperature chemically non-equilibrium model describing in a self-consistent manner the heat transfer, the plasma chemistry, the electric and magnetic field in a high-current free-burning arc in argon has been developed. The model is aimed at unifying the description of a thermionic tungsten cathode, a flat copper anode, and the arc plasma including the electrode sheath regions. The heat transfer in the electrodes is coupled to the plasma heat transfer considering the energy fluxes onto the electrode boundaries with the plasma. The results of the non-equilibrium model for an arc current of 200 A and an argon flow rate of 12 slpm are presented along with results obtained from a model based on the assumption of local thermodynamic equilibrium (LTE) and from optical emission spectroscopy. The plasma shows a near-LTE behaviour along the arc axis and in a region surrounding the axis which becomes wider towards the anode. In the near-electrode regions, a large deviation from LTE is observed. The results are in good agreement with experimental findings from optical emission spectroscopy. (paper)

Learning of Chemical Equilibrium through Modelling-Based Teaching

Science.gov (United States)

Maia, Poliana Flavia; Justi, Rosaria

2009-01-01

This paper presents and discusses students' learning process of chemical equilibrium from a modelling-based approach developed from the use of the "Model of Modelling" diagram. The investigation was conducted in a regular classroom (students 14-15 years old) and aimed at discussing how modelling-based teaching can contribute to students…

Two-temperature chemically non-equilibrium modelling of an air supersonic ICP

Energy Technology Data Exchange (ETDEWEB)

El Morsli, Mbark; Proulx, Pierre [Laboratoire de Modelisation de Procedes Chimiques par Ordinateur Oppus, Departement de Genie Chimique, Universite de Sherbrooke (Ciheam) J1K 2R1 (Canada)

2007-08-21

In this work, a non-equilibrium mathematical model for an air inductively coupled plasma torch with a supersonic nozzle is developed without making thermal and chemical equilibrium assumptions. Reaction rate equations are written, and two coupled energy equations are used, one for the calculation of the translational-rotational temperature T{sub hr} and one for the calculation of the electro-vibrational temperature T{sub ev}. The viscous dissipation is taken into account in the translational-rotational energy equation. The electro-vibrational energy equation also includes the pressure work of the electrons, the Ohmic heating power and the exchange due to elastic collision. Higher order approximations of the Chapman-Enskog method are used to obtain better accuracy for transport properties, taking advantage of the most recent sets of collisions integrals available in the literature. The results obtained are compared with those obtained using a chemical equilibrium model and a one-temperature chemical non-equilibrium model. The influence of the power and the pressure chamber on the chemical and thermal non-equilibrium is investigated.

Systematic validation of non-equilibrium thermochemical models using Bayesian inference

KAUST Repository

Miki, Kenji

2015-10-01

© 2015 Elsevier Inc. The validation process proposed by Babuška et al. [1] is applied to thermochemical models describing post-shock flow conditions. In this validation approach, experimental data is involved only in the calibration of the models, and the decision process is based on quantities of interest (QoIs) predicted on scenarios that are not necessarily amenable experimentally. Moreover, uncertainties present in the experimental data, as well as those resulting from an incomplete physical model description, are propagated to the QoIs. We investigate four commonly used thermochemical models: a one-temperature model (which assumes thermal equilibrium among all inner modes), and two-temperature models developed by Macheret et al. [2], Marrone and Treanor [3], and Park [4]. Up to 16 uncertain parameters are estimated using Bayesian updating based on the latest absolute volumetric radiance data collected at the Electric Arc Shock Tube (EAST) installed inside the NASA Ames Research Center. Following the solution of the inverse problems, the forward problems are solved in order to predict the radiative heat flux, QoI, and examine the validity of these models. Our results show that all four models are invalid, but for different reasons: the one-temperature model simply fails to reproduce the data while the two-temperature models exhibit unacceptably large uncertainties in the QoI predictions.

A dissipative model of plasma equilibrium in toroidal systems

International Nuclear Information System (INIS)

Wobig, H.

1985-10-01

In order to describe a steady-state plasma equilibrium in tokamaks, stellarators or other non-axisymmetric configurations, the model of ideal MHD with isotropic plasma pressure is widely used. The ideal MHD - model of a toroidal plasma equilibrium requires the existence of closed magnetic surfaces. Several numerical codes have been developed in the past to solve the three-dimensional equilibrium problem, but so far no existence theorem for a solution has been proved. Another difficulty is the formation of magnetic islands and field line ergodisation, which can only be described in terms of ideal MHD if the plasma pressure is constant in the ergodic region. In order to describe the formation of magnetic islands and ergodisation of surfaces properly, additional dissipative terms have to be incorporated to allow decoupling of the plasma and magnetic field. In a collisional plasma viscosity and inelastic collisions introduce such dissipative processes. In the model used a friction term proportional to the velocity v vector of the plasma is included. Such a term originates from charge exchange interaction of the plasma with a nuetral background. With these modifications, the equilibrium problem reduces to a set of quasilinear elliptic equations for the pressure, the electric potential and the magnetic field. The paper deals with an existence theorem based on the Fixed - Point method of Schauder. It can be shown that a self-consistent and unique equilibrium exists if the friction term is large and the plasma pressure is sufficiently low. The essential role of the dissipative terms is to remove the singularities of the ideal MHD model on rational magnetic surfaces. The problem has a strong similarity to Benard cell convection, and consequently similar behaviour such as bifurcation and exchange of stability are expected. (orig./GG)

Improving firm performance in out-of-equilibrium, deregulated markets using feedback simulation models

International Nuclear Information System (INIS)

Gary, S.; Larsen, E.R.

2000-01-01

Deregulation has reshaped the utility sector in many countries around the world. Organisations in these deregulated industries must adopt new polices which guide strategic decisions, in an uncertain and unfamiliar environment, that determine the short- and long-term fate of their companies. Traditional economic equilibrium models do not adequately address the issues facing these organisations in the shift towards deregulated market competition. Equilibrium assumptions break down in the out-of-equilibrium transition to competitive markets, and therefore different underpinning assumptions must be adopted in order to guide management in these periods. Simulation models incorporating information feedback through behavioural policies fill the void left by equilibrium models and support strategic policy analysis in out-of-equilibrium markets. As an example, we present a feedback simulation model developed to examine firm and industry level performance consequences of new generation capacity investment policies in the deregulated UK electricity sector. The model explicitly captures behavioural decision polices of boundedly rational managers and avoids equilibrium assumptions. Such models are essential to help managers evaluate the performance impact of various strategic policies in environments in which disequilibrum behaviour dominates. (Author)

Non-equilibrium spectroscopy of high-Tc superconductors

International Nuclear Information System (INIS)

Krasnov, V M

2009-01-01

In superconductors, recombination of two non-equilibrium quasiparticles into a Cooper pair results in emission of excitation that mediates superconductivity. This is the basis of the proposed new type of 'non-equilibrium' spectroscopy of high T c superconductors, which may open a possibility for direct and unambiguous determination of the coupling mechanism of high T c superconductivity. In case of low T c superconductors, the feasibility of such the non-equilibrium spectroscopy was demonstrated in classical phonon generation-detection experiments almost four decades ago. Recently it was demonstrated that a similar technique can be used for high T c superconductors, using natural intrinsic Josephson junctions both for injection of non-equilibrium quasiparticles and for detection of the non-equilibrium radiation. Here I analyze theoretically non-equilibrium phenomena in intrinsic Josephson junctions. It is shown that extreme non-equilibrium state can be achieved at bias equal to integer number of the gap voltage, which can lead to laser-like emission from the stack. I argue that identification of the boson type, constituting this non-equilibrium radiation would unambiguously reveal the coupling mechanism of high Tc superconductors.

Viscous-shock-layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

Science.gov (United States)

Anderson, E. C.; Moss, J. N.

1975-01-01

The viscous-shock-layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially-symmetric flow fields. Solutions were obtained using an implicit finite-difference scheme and results are presented for hypersonic flow over spherically-blunted cone configurations at freestream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

Viscous shock layer solutions for turbulent flow of radiating gas mixtures in chemical equilibrium

Science.gov (United States)

Anderson, E. C.; Moss, J. N.

1975-01-01

The viscous shock layer equations for hypersonic laminar and turbulent flows of radiating or nonradiating gas mixtures in chemical equilibrium are presented for two-dimensional and axially symmetric flow fields. Solutions are obtained using an implicit finite difference scheme and results are presented for hypersonic flow over spherically blunted cone configurations at free stream conditions representative of entry into the atmosphere of Venus. These data are compared with solutions obtained using other methods of analysis.

Quantum hair of black holes out of equilibrium

Science.gov (United States)

Brustein, Ram; Medved, A. J. M.

2018-02-01

Classically, the black hole (BH) horizon is completely opaque, hiding any clues about the state and very existence of its interior. Quantum mechanically and in equilibrium, the situation is not much different; Hawking radiation will now be emitted, but it comes out at an extremely slow rate, is thermal to a high degree of accuracy, and thus carries a minimal amount of information about the quantum state within the BH. Here, it is shown that the situation is significantly different when a quantum BH is out of equilibrium. We argue that the BH can then emit "supersized" Hawking radiation with a much larger amplitude than that emitted in equilibrium. The result is a new type of quantum hair that can reveal the state and composition of the BH interior to an external observer. Moreover, the frequency and amplitude of the new hair can be explained by the observer without invoking any new physical principles. The new hair decays at a parametrically slow rate in comparison to the Schwarzschild time scale and can be detected through the emission of gravitational waves (and possibly other types of waves) whenever a BH has received a large enough surge in energy to move it far away from its equilibrium state, in particular, during and immediately after a BH-merger event. The current discussion is motivated by a previous analysis, in the context of a recently proposed polymer model for the BH interior, that implies emissions just like those described here. We expect, however, that the new hair is a model-independent property of quantum BHs.

Soils apart from equilibrium – consequences for soil carbon balance modelling

Directory of Open Access Journals (Sweden)

T. Wutzler

2007-01-01

Full Text Available Many projections of the soil carbon sink or source are based on kinetically defined carbon pool models. Para-meters of these models are often determined in a way that the steady state of the model matches observed carbon stocks. The underlying simplifying assumption is that observed carbon stocks are near equilibrium. This assumption is challenged by observations of very old soils that do still accumulate carbon. In this modelling study we explored the consequences of the case where soils are apart from equilibrium. Calculation of equilibrium states of soils that are currently accumulating small amounts of carbon were performed using the Yasso model. It was found that already very small current accumulation rates cause big changes in theoretical equilibrium stocks, which can virtually approach infinity. We conclude that soils that have been disturbed several centuries ago are not in equilibrium but in a transient state because of the slowly ongoing accumulation of the slowest pool. A first consequence is that model calibrations to current carbon stocks that assume equilibrium state, overestimate the decay rate of the slowest pool. A second consequence is that spin-up runs (simulations until equilibrium overestimate stocks of recently disturbed sites. In order to account for these consequences, we propose a transient correction. This correction prescribes a lower decay rate of the slowest pool and accounts for disturbances in the past by decreasing the spin-up-run predicted stocks to match an independent estimate of current soil carbon stocks. Application of this transient correction at a Central European beech forest site with a typical disturbance history resulted in an additional carbon fixation of 5.7±1.5 tC/ha within 100 years. Carbon storage capacity of disturbed forest soils is potentially much higher than currently assumed. Simulations that do not adequately account for the transient state of soil carbon stocks neglect a considerable

Stepwise kinetic equilibrium models of quantitative polymerase chain reaction

Directory of Open Access Journals (Sweden)

Cobbs Gary

2012-08-01

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

Stepwise kinetic equilibrium models of quantitative polymerase chain reaction.

Science.gov (United States)

Cobbs, Gary

2012-08-16

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

Statistical equilibrium equations for trace elements in stellar atmospheres

OpenAIRE

Kubat, Jiri

2010-01-01

The conditions of thermodynamic equilibrium, local thermodynamic equilibrium, and statistical equilibrium are discussed in detail. The equations of statistical equilibrium and the supplementary equations are shown together with the expressions for radiative and collisional rates with the emphasize on the solution for trace elements.

Numerical equilibrium analysis for structured consumer resource models

NARCIS (Netherlands)

de Roos, A.M.; Diekmann, O.; Getto, P.; Kirkilionis, M.A.

2010-01-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured re- source. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries

Numerical equilibrium analysis for structured consumer resource models

NARCIS (Netherlands)

de Roos, A.M.; Diekmann, O.; Getto, P.; Kirkilionis, M.A.

2010-01-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured resource. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries

Revised model for the radiation force exerted by standing surface acoustic waves on a rigid cylinder

Science.gov (United States)

Liang, Shen; Chaohui, Wang

2018-03-01

In this paper, a model for the radiation force exerted by standing surface acoustic waves (SSAWs) on a rigid cylinder in inviscid fluids is extended to account for the dependence on the Rayleigh angle. The conventional model for the radiation force used in the SSAW-based applications is developed in plane standing waves, which fails to predict the movement of the cylinder in the SSAW. Our revised model reveals that, in the direction normal to the piezoelectric substrate on which the SSAW is generated, acoustic radiation force can be large enough to drive the cylinder even in the long-wavelength limit. Furthermore, the force in this direction can not only push the cylinder away, but also pull it back toward the substrate. In the direction parallel to the substrate, the equilibrium positions for particles can be actively tuned by changing Rayleigh angle. As an example considered in the paper, with the reduction of Rayleigh angle the equilibrium positions for steel cylinders in water change from pressure nodes to pressure antinodes. The model can thus be used in the design of SSAWs for particle manipulations.

Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

Energy Technology Data Exchange (ETDEWEB)

Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

2015-10-09

The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

Modelling of an homogeneous equilibrium mixture model

International Nuclear Information System (INIS)

Bernard-Champmartin, A.; Poujade, O.; Mathiaud, J.; Mathiaud, J.; Ghidaglia, J.M.

2014-01-01

We present here a model for two phase flows which is simpler than the 6-equations models (with two densities, two velocities, two temperatures) but more accurate than the standard mixture models with 4 equations (with two densities, one velocity and one temperature). We are interested in the case when the two-phases have been interacting long enough for the drag force to be small but still not negligible. The so-called Homogeneous Equilibrium Mixture Model (HEM) that we present is dealing with both mixture and relative quantities, allowing in particular to follow both a mixture velocity and a relative velocity. This relative velocity is not tracked by a conservation law but by a closure law (drift relation), whose expression is related to the drag force terms of the two-phase flow. After the derivation of the model, a stability analysis and numerical experiments are presented. (authors)

BGK-type models in strong reaction and kinetic chemical equilibrium regimes

International Nuclear Information System (INIS)

Monaco, R; Bianchi, M Pandolfi; Soares, A J

2005-01-01

A BGK-type procedure is applied to multi-component gases undergoing chemical reactions of bimolecular type. The relaxation process towards local Maxwellians, depending on mass and numerical densities of each species as well as common velocity and temperature, is investigated in two different cases with respect to chemical regimes. These cases are related to the strong reaction regime characterized by slow reactions, and to the kinetic chemical equilibrium regime where fast reactions take place. The consistency properties of both models are stated in detail. The trend to equilibrium is numerically tested and comparisons for the two regimes are performed within the hydrogen-air and carbon-oxygen reaction mechanism. In the spatial homogeneous case, it is also shown that the thermodynamical equilibrium of the models recovers satisfactorily the asymptotic equilibrium solutions to the reactive Euler equations

Equilibrium and kinetic models for colloid release under transient solution chemistry conditions

Science.gov (United States)

We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and...

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

Science.gov (United States)

Philip, B.; Wang, Z.; Berrill, M. A.; Birke, M.; Pernice, M.

2014-04-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton-Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence.

Dynamic implicit 3D adaptive mesh refinement for non-equilibrium radiation diffusion

International Nuclear Information System (INIS)

Philip, B.; Wang, Z.; Berrill, M.A.; Birke, M.; Pernice, M.

2014-01-01

The time dependent non-equilibrium radiation diffusion equations are important for solving the transport of energy through radiation in optically thick regimes and find applications in several fields including astrophysics and inertial confinement fusion. The associated initial boundary value problems that are encountered often exhibit a wide range of scales in space and time and are extremely challenging to solve. To efficiently and accurately simulate these systems we describe our research on combining techniques that will also find use more broadly for long term time integration of nonlinear multi-physics systems: implicit time integration for efficient long term time integration of stiff multi-physics systems, local control theory based step size control to minimize the required global number of time steps while controlling accuracy, dynamic 3D adaptive mesh refinement (AMR) to minimize memory and computational costs, Jacobian Free Newton–Krylov methods on AMR grids for efficient nonlinear solution, and optimal multilevel preconditioner components that provide level independent solver convergence

An analytic model of radiative collapse of a Z-pinch

International Nuclear Information System (INIS)

Haines, M.G.

1989-01-01

There is a critical current I PB of about 1 MA (the Pease-Braginskii current) at which Ohmic heating and bremsstrahlung losses balance in a Z-pinch under pressure equilibrium. An analytic zero-dimensional model shows the process of radiative collapse when the prescribed current exceeds the critical current. In particular for a linearly rising current radiative collapse is complete when the current is 3 I PB . However, in practice the voltage limitation imposed by an external circuit prevents such a total collapse, and by including this in the model a maximum density (10 30 -10 32 m -3 )can occur followed by an expansion and damped oscillation about an equilibrium at which the current equals the Pease-Braginskii current. In the absence of alpha-particle pressure the maximum density is limited by the resistance of the narrow column, the large voltage across which (∼10 8 V) is balanced essentially bu a large negative LI; it occurs when the current is I PB [(δ-1)/(δ-2)] 1/2 where δ=7/3+4/3 In(R/a), where a is the pinch radius and R is the radius of the current return. The minimum current following maximum density is shown to be greater than I PB /√2. Degeneracy effects can be included in the model. (author) 5 refs., 1 fig

An analytic model of radiative collapse of a Z-pinch

International Nuclear Information System (INIS)

Haines, M.G.

1989-01-01

There is a critical current I PB of about 1 MA (the Pease-Braginskii current) at which Ohmic heating and Bremsstrahlung losses balance in a Z-pinch under pressure equilibrium. An analytic zero-dimensional model shows the process of radiative collapse when the prescribed current exceeds the critical current. In particular for a linearly rising current radiative collapse is complete when the current is √3 I PB . However in practice the voltage limitation imposed by an external circuit prevents such a total collapse, and by including this in the model a maximum density (∼ 10 30 -10 32 m -3 ) can occur followed by an expansion and damped oscillation about an equilibrium at which the current equals the Pease-Braginskii current. In the absence of alpha-particle pressure the maximum density is limited by the resistance of the narrow column, the large voltage across which (∼ 10 8 V) is balanced essentially by a large negative LI radical; it occurs when the current is I PB [(δ-1)/(δ-2)] 1/2 where δ = 7/3+4/3 1n (R w /a), where a is the pinch radius and R w is the radius of the current return. The minimum current following maximum density is shown to be greater than I PB /√2. Degeneracy effects can be included in the model. (author)

Geochemical modelling of groundwater evolution using chemical equilibrium codes

International Nuclear Information System (INIS)

Pitkaenen, P.; Pirhonen, V.

1991-01-01

Geochemical equilibrium codes are a modern tool in studying interaction between groundwater and solid phases. The most common used programs and application subjects are shortly presented in this article. The main emphasis is laid on the approach method of using calculated results in evaluating groundwater evolution in hydrogeological system. At present in geochemical equilibrium modelling also kinetic as well as hydrologic constrains along a flow path are taken into consideration

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

Science.gov (United States)

Khantuleva, Tatiana A; Shalymov, Dmitry S

2017-03-06

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

Termination of Dynamic Contracts in an Equilibrium Labor Market Model

OpenAIRE

Wang, Cheng

2005-01-01

I construct an equilibrium model of the labor market where workers and firms enter into dyamic contracts that can potentially last forever, but are subject to optimal terminations. Upon a termination, the firm hires a new worker, and the worker who is terminated receives a termination compensation from the firm and is then free to go back to the labor market to seek new employment opportunities and enter into new dynamic contracts. The model permits only two types of equilibrium terminations ...

Mathematical models of the theory of the radiative transfer

International Nuclear Information System (INIS)

Lin, Ch.

2007-06-01

We are interested in various different models arising in radiative transfer, which describe the interactions between the medium and the photons. The radiation is described in terms of energy and energy flux in the macroscopic view, the material being described by the Euler equations (radiative hydrodynamic model). In another way, the radiation can be seen as a collection of photons, in the microscopic view point; the photons can be absorbed or emitted by the material. The absorption and the emission of photons depend on the internal excitation and ionization state of the material. We begin with the local existence (in time) of smooth solutions to a system coupling the Euler equations and the transfer equation. This system describes the exchange of energy and moment between the radiation and the material. Next, we give an asymptotic discussion for this model in the NON-LTE regime and get a simple system: coupling the Euler equations with an elliptic equation. We show the existence of (smooth) shock profiles to this system and the regularity of the shock profile as a function of the strength of the shock. Then we study the asymptotic stability of the shock profile. Finally, we study a system describing the radiation and the internal state of the material, in the microscopic view point. We prove the existence of the solution to this system and study the convergence towards the statistical equilibrium. The theoretical results are illustrated by numerical simulations. (author)

General Equilibrium Models: Improving the Microeconomics Classroom

Science.gov (United States)

Nicholson, Walter; Westhoff, Frank

2009-01-01

General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…

Comparing two non-equilibrium approaches to modelling of a free-burning arc

International Nuclear Information System (INIS)

Baeva, M; Uhrlandt, D; Benilov, M S; Cunha, M D

2013-01-01

Two models of high-pressure arc discharges are compared with each other and with experimental data for an atmospheric-pressure free-burning arc in argon for arc currents of 20–200 A. The models account for space-charge effects and thermal and ionization non-equilibrium in somewhat different ways. One model considers space-charge effects, thermal and ionization non-equilibrium in the near-cathode region and thermal non-equilibrium in the bulk plasma. The other model considers thermal and ionization non-equilibrium in the entire arc plasma and space-charge effects in the near-cathode region. Both models are capable of predicting the arc voltage in fair agreement with experimental data. Differences are observed in the arc attachment to the cathode, which do not strongly affect the near-cathode voltage drop and the total arc voltage for arc currents exceeding 75 A. For lower arc currents the difference is significant but the arc column structure is quite similar and the predicted bulk plasma characteristics are relatively close to each other. (paper)

Equilibrium and transient conductivity for gadolium-doped ceria under large perturbations: II. Modeling

DEFF Research Database (Denmark)

Zhu, Huayang; Ricote, Sandrine; Coors, W. Grover

2014-01-01

the computational implementation of a Nernst–Planck–Poisson (NPP) model to represent and interpret conductivity-relaxation measurements. Defect surface chemistry is represented with both equilibrium and finite-rate kinetic models. The experiments and the models are capable of representing relaxations from strongly......A model-based approach is used to interpret equilibrium and transient conductivity measurements for 10% gadolinium-doped ceria: Ce0.9Gd0.1O1.95 − δ (GDC10). The measurements were carried out by AC impedance spectroscopy on slender extruded GDC10 rods. Although equilibrium conductivity measurements...... provide sufficient information from which to derive material properties, it is found that uniquely establishing properties is difficult. Augmenting equilibrium measurements with conductivity relaxation significantly improves the evaluation of needed physical properties. This paper develops and applies...

Equilibrium Droplets on Deformable Substrates: Equilibrium Conditions.

Science.gov (United States)

Koursari, Nektaria; Ahmed, Gulraiz; Starov, Victor M

2018-05-15

Equilibrium conditions of droplets on deformable substrates are investigated, and it is proven using Jacobi's sufficient condition that the obtained solutions really provide equilibrium profiles of both the droplet and the deformed support. At the equilibrium, the excess free energy of the system should have a minimum value, which means that both necessary and sufficient conditions of the minimum should be fulfilled. Only in this case, the obtained profiles provide the minimum of the excess free energy. The necessary condition of the equilibrium means that the first variation of the excess free energy should vanish, and the second variation should be positive. Unfortunately, the mentioned two conditions are not the proof that the obtained profiles correspond to the minimum of the excess free energy and they could not be. It is necessary to check whether the sufficient condition of the equilibrium (Jacobi's condition) is satisfied. To the best of our knowledge Jacobi's condition has never been verified for any already published equilibrium profiles of both the droplet and the deformable substrate. A simple model of the equilibrium droplet on the deformable substrate is considered, and it is shown that the deduced profiles of the equilibrium droplet and deformable substrate satisfy the Jacobi's condition, that is, really provide the minimum to the excess free energy of the system. To simplify calculations, a simplified linear disjoining/conjoining pressure isotherm is adopted for the calculations. It is shown that both necessary and sufficient conditions for equilibrium are satisfied. For the first time, validity of the Jacobi's condition is verified. The latter proves that the developed model really provides (i) the minimum of the excess free energy of the system droplet/deformable substrate and (ii) equilibrium profiles of both the droplet and the deformable substrate.

An Analytic Approach to Modeling Land-Atmosphere Interaction: 1. Construct and Equilibrium Behavior

Science.gov (United States)

Brubaker, Kaye L.; Entekhabi, Dara

1995-03-01

A four-variable land-atmosphere model is developed to investigate the coupled exchanges of water and energy between the land surface and atmosphere and the role of these exchanges in the statistical behavior of continental climates. The land-atmosphere system is substantially simplified and formulated as a set of ordinary differential equations that, with the addition of random noise, are suitable for analysis in the form of the multivariate Îto equation. The model treats the soil layer and the near-surface atmosphere as reservoirs with storage capacities for heat and water. The transfers between these reservoirs are regulated by four states: soil saturation, soil temperature, air specific humidity, and air potential temperature. The atmospheric reservoir is treated as a turbulently mixed boundary layer of fixed depth. Heat and moisture advection, precipitation, and layer-top air entrainment are parameterized. The system is forced externally by solar radiation and the lateral advection of air and water mass. The remaining energy and water mass exchanges are expressed in terms of the state variables. The model development and equilibrium solutions are presented. Although comparisons between observed data and steady state model results re inexact, the model appears to do a reasonable job of partitioning net radiation into sensible and latent heat flux in appropriate proportions for bare-soil midlatitude summer conditions. Subsequent work will introduce randomness into the forcing terms to investigate the effect of water-energy coupling and land-atmosphere interaction on variability and persistence in the climatic system.

Fitting Equilibrium Search Models to Labour Market Data

DEFF Research Database (Denmark)

Bowlus, Audra J.; Kiefer, Nicholas M.; Neumann, George R.

1996-01-01

Specification and estimation of a Burdett-Mortensen type equilibrium search model is considered. The estimation is nonstandard. An estimation strategy asymptotically equivalent to maximum likelihood is proposed and applied. The results indicate that specifications with a small number of productiv...... of productivity types fit the data well compared to the homogeneous model....

Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

International Nuclear Information System (INIS)

Ghorui, S; Das, A K

2012-01-01

Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

Phenomenological model for non-equilibrium deuteron emission in nucleon induced reactions

International Nuclear Information System (INIS)

Broeders, C.H.M.; Konobeyev, A.Yu.

2005-01-01

A new approach is proposed for the calculation of non-equilibrium deuteron energy distributions in nuclear reactions induced by nucleons of intermediate energies. It combines the model of the nucleon pick-up, the coalescence and the deuteron knock-out. Emission and absorption rates for excited particles are described by the pre-equilibrium hybrid model. The model of Sato, Iwamoto, Harada is used to describe the nucleon pick-up and the coalescence of nucleons from the exciton configurations starting from (2p, 1h). The model of deuteron knock-out is formulated taking into account the Pauli principle for the nucleon-deuteron interaction inside a nucleus. The contribution of the direct nucleon pick-up is described phenomenologically. The multiple pre-equilibrium emission of particles is taken into account. The calculated deuteron energy distributions are compared with experimental data from 12 C to 209 Bi. (orig.)

Charge-equilibrium and radiation of low-energy cosmic rays passing through interstellar medium

Science.gov (United States)

Rule, D. W.; Omidvar, K.

1977-01-01

The charge equilibrium and radiation of an oxygen and an iron beam in the MeV per nucleon energy range, representing a typical beam of low-energy cosmic rays passing through the interstellar medium, is considered. Electron loss of the beam has been taken into account by means of the First Born approximation allowing for the target atom to remain unexcited, or to be excited to all possible states. Electron capture cross sections have been calculated by means of the scaled Oppenheimer-Brinkman-Kramers approximation, taking into account all atomic shells of the target atoms. Radiation of the beam due to electron capture into the excited states of the ion, collisional excitation and collisional inner-shell ionization of the ions has been considered. Effective X-ray production cross sections and multiplicities for the most energetic X-ray lines emitted by the Fe and O beams have been calculated.

Chemical equilibrium relations used in the fireball model of relativistic heavy ion reactions

International Nuclear Information System (INIS)

Gupta, S.D.

1978-01-01

The fireball model of relativistic heavy-ion collision uses chemical equilibrium relations to predict cross sections for particle and composite productions. These relations are examined in a canonical ensemble model where chemical equilibrium is not explicitly invoked

Insights: Simple Models for Teaching Equilibrium and Le Chatelier's Principle.

Science.gov (United States)

Russell, Joan M.

1988-01-01

Presents three models that have been effective for teaching chemical equilibrium and Le Chatelier's principle: (1) the liquid transfer model, (2) the fish model, and (3) the teeter-totter model. Explains each model and its relation to Le Chatelier's principle. (MVL)

Research on spot power market equilibrium model considering the electric power network characteristics

International Nuclear Information System (INIS)

Wang, Chengmin; Jiang, Chuanwen; Chen, Qiming

2007-01-01

Equilibrium is the optimum operational condition for the power market by economics rule. A realistic spot power market cannot achieve the equilibrium condition due to network losses and congestions. The impact of the network losses and congestion on spot power market is analyzed in this paper in order to establish a new equilibrium model considering the network loss and transmission constraints. The OPF problem formulated according to the new equilibrium model is solved by means of the equal price principle. A case study on the IEEE-30-bus system is provided in order to prove the effectiveness of the proposed approach. (author)

Non-equilibrium mass transfer absorption model for the design of boron isotopes chemical exchange column

International Nuclear Information System (INIS)

Bai, Peng; Fan, Kaigong; Guo, Xianghai; Zhang, Haocui

2016-01-01

Highlights: • We propose a non-equilibrium mass transfer absorption model instead of a distillation equilibrium model to calculate boron isotopes separation. • We apply the model to calculate the needed column height to meet prescribed separation requirements. - Abstract: To interpret the phenomenon of chemical exchange in boron isotopes separation accurately, the process is specified as an absorption–reaction–desorption hybrid process instead of a distillation equilibrium model, the non-equilibrium mass transfer absorption model is put forward and a mass transfer enhancement factor E is introduced to find the packing height needed to meet the specified separation requirements with MATLAB.

An assessment of radiation modeling strategies in simulations of laminar to transitional, oxy-methane, diffusion flames

International Nuclear Information System (INIS)

Abdul-Sater, Hassan; Krishnamoorthy, Gautham

2013-01-01

Twenty four, laboratory scale, laminar to transitional, diffusion oxy-methane flames were simulated employing different radiation modeling options and their predictions compared against experimental measurements of: temperature, flame length and radiant fraction. The models employed were: gray and non-gray formulations of a recently proposed weighted-sum-of-gray gas model, non-adiabatic extension of the equilibrium based mixture fraction model and investigations into the effects of: the thermal boundary conditions, soot and turbulence radiation interactions (TRI). Predictions of gas, wall temperatures and flame lengths were in good agreement with experimental measurements. Flame lengths determined through the axial profiles of OH confirmed with the experimental trends by increasing with increase in fuel-inlet Reynolds numbers and decreasing with the increase in O 2 composition in oxidizer. The temperature and flame length predictions were not sensitive to the radiative property model employed. There were significant variations between the gray and non-gray model radiant fraction predictions with the variations in general increasing with decrease in Reynolds numbers possibly attributed to shorter flames and steeper temperature gradients. The inclusion of soot model and TRI model did not affect our predictions as a result of low soot volume fractions and the radiation emission enhancement to the temperature fluctuations being localized to the flame sheet. -- Highlights: • Twenty four, lab scale, laminar to transitional, diffusion, oxy-methane flames were simulated. • Equilibrium model adequately predicted the temperature and flame lengths. • The experimental trends in radiant fractions were replicated. • Gray and non-gray model differences in radiant fractions were amplified at low Re. • Inclusion of soot and TRI models did not affect our predictions

A two-temperature chemical non-equilibrium modeling of DC arc plasma

International Nuclear Information System (INIS)

Qian Haiyang; Wu Bin

2011-01-01

To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

Pre-equilibrium assumptions and statistical model parameters effects on reaction cross-section calculations

International Nuclear Information System (INIS)

Avrigeanu, M.; Avrigeanu, V.

1992-02-01

A systematic study on effects of statistical model parameters and semi-classical pre-equilibrium emission models has been carried out for the (n,p) reactions on the 56 Fe and 60 Co target nuclei. The results obtained by using various assumptions within a given pre-equilibrium emission model differ among them more than the ones of different models used under similar conditions. The necessity of using realistic level density formulas is emphasized especially in connection with pre-equilibrium emission models (i.e. with the exciton state density expression), while a basic support could be found only by replacement of the Williams exciton state density formula with a realistic one. (author). 46 refs, 12 figs, 3 tabs

Absence of local thermal equilibrium in two models of heat conduction

OpenAIRE

Dhar, Abhishek; Dhar, Deepak

1998-01-01

A crucial assumption in the conventional description of thermal conduction is the existence of local thermal equilibrium. We test this assumption in two simple models of heat conduction. Our first model is a linear chain of planar spins with nearest neighbour couplings, and the second model is that of a Lorentz gas. We look at the steady state of the system when the two ends are connected to heat baths at temperatures T1 and T2. If T1=T2, the system reaches thermal equilibrium. If T1 is not e...

Composition and partition functions of partially ionized hydrogen plasma in Non-Local Thermal Equilibrium (Non-LThE) and Non-Local Chemical Equilibrium (Non-LChE)

International Nuclear Information System (INIS)

Chen Kuan; Eddy, T.L.

1993-01-01

A GTME (Generalized MultiThermodynamic Equilibrium) plasma model is developed for plasmas in both Non-LThE (Non-Local Thermal Equilibrium) and Non-LChE (Non-Local Chemical Equilibrium). The model uses multitemperatures for thermal nonequilibrium and non-zero chemical affinities as a measure of the deviation from chemical equilibrium. The plasma is treated as an ideal gas with the Debye-Hueckel approximation employed for pressure correction. The proration method is used when the cutoff energy level is between two discrete levels. The composition and internal partition functions of a hydrogen plasma are presented for electron temperatures ranging from 5000 to 35000 K and pressures from 0.1 to 1000 kPa. Number densities of 7 different species of hydrogen plasma and internal partition functions of different energy modes (rotational, vibrational, and electronic excitation) are computed for three affinity values. The results differ from other plasma properties in that they 1) are not based on equilibrium properties; and 2) are expressed as a function of different energy distribution parameters (temperatures) within each energy mode of each species as appropriate. The computed number densities and partition functions are applicable to calculating the thermodynamic, transport, and radiation properties of a hydrogen plasma not in thermal and chemical equilibria. The nonequilibrium plasma model and plasma compositions presented in this paper are very useful to the diagnosis of high-speed and/or low-pressure plasma flows in which the assumptions of local thermal and chemical equilibrium are invalid. (orig.)

Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

International Nuclear Information System (INIS)

Li Xiangyuan; Fu Kexiang; Zhu Quan

2006-01-01

In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

Effect of including decay chains on predictions of equilibrium-type terrestrial food chain models

International Nuclear Information System (INIS)

Kirchner, G.

1990-01-01

Equilibrium-type food chain models are commonly used for assessing the radiological impact to man from environmental releases of radionuclides. Usually these do not take into account build-up of radioactive decay products during environmental transport. This may be a potential source of underprediction. For estimating consequences of this simplification, the equations of an internationally recognised terrestrial food chain model have been extended to include decay chains of variable length. Example calculations show that for releases from light water reactors as expected both during routine operation and in the case of severe accidents, the build-up of decay products during environmental transport is generally of minor importance. However, a considerable number of radionuclides of potential radiological significance have been identified which show marked contributions of decay products to calculated contamination of human food and resulting radiation dose rates. (author)

Modelling Thomson scattering for systems with non-equilibrium electron distributions

Directory of Open Access Journals (Sweden)

Chapman D.A.

2013-11-01

Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

Post-CHF heat transfer: a non-equilibrium, relaxation model

International Nuclear Information System (INIS)

Jones, O.C. Jr.; Zuber, N.

1977-01-01

Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

Knowledge Management through the Equilibrium Pattern Model for Learning

Science.gov (United States)

Sarirete, Akila; Noble, Elizabeth; Chikh, Azeddine

Contemporary students are characterized by having very applied learning styles and methods of acquiring knowledge. This behavior is consistent with the constructivist models where students are co-partners in the learning process. In the present work the authors developed a new model of learning based on the constructivist theory coupled with the cognitive development theory of Piaget. The model considers the level of learning based on several stages and the move from one stage to another requires learners' challenge. At each time a new concept is introduced creates a disequilibrium that needs to be worked out to return back to its equilibrium stage. This process of "disequilibrium/equilibrium" has been analyzed and validated using a course in computer networking as part of Cisco Networking Academy Program at Effat College, a women college in Saudi Arabia. The model provides a theoretical foundation for teaching especially in a complex knowledge domain such as engineering and can be used in a knowledge economy.

Dynamic Processes of Conceptual Change: Analysis of Constructing Mental Models of Chemical Equilibrium.

Science.gov (United States)

Chiu, Mei-Hung; Chou, Chin-Cheng; Liu, Chia-Ju

2002-01-01

Investigates students' mental models of chemical equilibrium using dynamic science assessments. Reports that students at various levels have misconceptions about chemical equilibrium. Involves 10th grade students (n=30) in the study doing a series of hands-on chemical experiments. Focuses on the process of constructing mental models, dynamic…

Quantum Cournot equilibrium for the Hotelling–Smithies model of product choice

International Nuclear Information System (INIS)

Rahaman, Ramij; Majumdar, Priyadarshi; Basu, B

2012-01-01

This paper demonstrates the quantization of a spatial Cournot duopoly model with product choice, a two stage game focusing on non-cooperation in locations and quantities. With quantization, the players can access a continuous set of strategies, using a continuous variable quantum mechanical approach. The presence of quantum entanglement in the initial state identifies a quantity equilibrium for each location pair choice with any transport cost. Also higher profit is obtained by the firms at Nash equilibrium. Adoption of quantum strategies rewards us by the existence of a larger quantum strategic space at equilibrium. (paper)

Kinetics of non-equilibrium processes in non-linear crystals of lithium borates excited with synchrotron radiation

CERN Document Server

Ogorodnikov, I N; Isaenko, L I; Zinin, E I; Kruzhalov, A V

2000-01-01

The paper presents the results of a study of the LiB sub 3 O sub 5 and Li sub 2 B sub 4 O sub 7 crystals by the use of the luminescent spectroscopy with the sub-nanosecond time resolution under excitation of the high-power synchrotron radiation. The commonness in the origin of the non-equilibrium processes in these crystals as well as the observed differences in the luminescence manifestations is discussed.

Kinetics of non-equilibrium processes in non-linear crystals of lithium borates excited with synchrotron radiation

Energy Technology Data Exchange (ETDEWEB)

Ogorodnikov, I.N. E-mail: ogo@dpt.ustu.ru; Pustovarov, V.A.; Isaenko, L.I.; Zinin, E.I.; Kruzhalov, A.V

2000-06-21

The paper presents the results of a study of the LiB{sub 3}O{sub 5} and Li{sub 2}B{sub 4}O{sub 7} crystals by the use of the luminescent spectroscopy with the sub-nanosecond time resolution under excitation of the high-power synchrotron radiation. The commonness in the origin of the non-equilibrium processes in these crystals as well as the observed differences in the luminescence manifestations is discussed.

A model for non-equilibrium, non-homogeneous two-phase critical flow

International Nuclear Information System (INIS)

Bassel, Wageeh Sidrak; Ting, Daniel Kao Sun

1999-01-01

Critical two phase flow is a very important phenomena in nuclear reactor technology for the analysis of loss of coolant accident. Several recent papers, Lee and Shrock (1990), Dagan (1993) and Downar (1996) , among others, treat the phenomena using complex models which require heuristic parameters such as relaxation constants or interfacial transfer models. In this paper a mathematical model for one dimensional non equilibrium and non homogeneous two phase flow in constant area duct is developed. The model is constituted of three conservation equations type mass ,momentum and energy. Two important variables are defined in the model: equilibrium constant in the energy equation and the impulse function in the momentum equation. In the energy equation, the enthalpy of the liquid phase is determined by a linear interpolation function between the liquid phase enthalpy at inlet condition and the saturated liquid enthalpy at local pressure. The interpolation coefficient is the equilibrium constant. The momentum equation is expressed in terms of the impulse function. It is considered that there is slip between the liquid and vapor phases, the liquid phase is in metastable state and the vapor phase is in saturated stable state. The model is not heuristic in nature and does not require complex interface transfer models. It is proved numerically that for the critical condition the partial derivative of two phase pressure drop with respect to the local pressure or to phase velocity must be zero.This criteria is demonstrated by numerical examples. The experimental work of Fauske (1962) and Jeandey (1982) were analyzed resulting in estimated numerical values for important parameters like slip ratio, equilibrium constant and two phase frictional drop. (author)

Non-equilibrium Economics

Directory of Open Access Journals (Sweden)

Katalin Martinás

2007-02-01

Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

Implementation of Radiation, Ablation, and Free Energy Minimization Modules for Coupled Simulations of Hypersonic Flow

Science.gov (United States)

Gnoffo, Peter A.; Johnston, Christopher O.; Thompson, Richard A.

2009-01-01

A description of models and boundary conditions required for coupling radiation and ablation physics to a hypersonic flow simulation is provided. Chemical equilibrium routines for varying elemental mass fraction are required in the flow solver to integrate with the equilibrium chemistry assumption employed in the ablation models. The capability also enables an equilibrium catalytic wall boundary condition in the non-ablating case. The paper focuses on numerical implementation issues using FIRE II, Mars return, and Apollo 4 applications to provide context for discussion. Variable relaxation factors applied to the Jacobian elements of partial equilibrium relations required for convergence are defined. Challenges of strong radiation coupling in a shock capturing algorithm are addressed. Results are presented to show how the current suite of models responds to a wide variety of conditions involving coupled radiation and ablation.

Non-Equilibrium Radiative Transfer in Structured Atmospheres

National Research Council Canada - National Science Library

Picard, R. H; Winick, J. R; Wintersteiner, P. P

2002-01-01

... passage of both atmospheric gravity waves and transient frontal disturbances or bores. The infrared emissions from this part of the atmosphere are already typically not in local thermodynamic equilibrium (LTE...

Linearized Flux Evolution (LiFE): A technique for rapidly adapting fluxes from full-physics radiative transfer models

Science.gov (United States)

Robinson, Tyler D.; Crisp, David

2018-05-01

Solar and thermal radiation are critical aspects of planetary climate, with gradients in radiative energy fluxes driving heating and cooling. Climate models require that radiative transfer tools be versatile, computationally efficient, and accurate. Here, we describe a technique that uses an accurate full-physics radiative transfer model to generate a set of atmospheric radiative quantities which can be used to linearly adapt radiative flux profiles to changes in the atmospheric and surface state-the Linearized Flux Evolution (LiFE) approach. These radiative quantities describe how each model layer in a plane-parallel atmosphere reflects and transmits light, as well as how the layer generates diffuse radiation by thermal emission and by scattering light from the direct solar beam. By computing derivatives of these layer radiative properties with respect to dynamic elements of the atmospheric state, we can then efficiently adapt the flux profiles computed by the full-physics model to new atmospheric states. We validate the LiFE approach, and then apply this approach to Mars, Earth, and Venus, demonstrating the information contained in the layer radiative properties and their derivatives, as well as how the LiFE approach can be used to determine the thermal structure of radiative and radiative-convective equilibrium states in one-dimensional atmospheric models.

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

Science.gov (United States)

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.

Gaussian random bridges and a geometric model for information equilibrium

Science.gov (United States)

Mengütürk, Levent Ali

2018-03-01

The paper introduces a class of conditioned stochastic processes that we call Gaussian random bridges (GRBs) and proves some of their properties. Due to the anticipative representation of any GRB as the sum of a random variable and a Gaussian (T , 0) -bridge, GRBs can model noisy information processes in partially observed systems. In this spirit, we propose an asset pricing model with respect to what we call information equilibrium in a market with multiple sources of information. The idea is to work on a topological manifold endowed with a metric that enables us to systematically determine an equilibrium point of a stochastic system that can be represented by multiple points on that manifold at each fixed time. In doing so, we formulate GRB-based information diversity over a Riemannian manifold and show that it is pinned to zero over the boundary determined by Dirac measures. We then define an influence factor that controls the dominance of an information source in determining the best estimate of a signal in the L2-sense. When there are two sources, this allows us to construct information equilibrium as a functional of a geodesic-valued stochastic process, which is driven by an equilibrium convergence rate representing the signal-to-noise ratio. This leads us to derive price dynamics under what can be considered as an equilibrium probability measure. We also provide a semimartingale representation of Markovian GRBs associated with Gaussian martingales and a non-anticipative representation of fractional Brownian random bridges that can incorporate degrees of information coupling in a given system via the Hurst exponent.

Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

Science.gov (United States)

Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

1998-05-01

Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet's model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature Tz. An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z* and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated.

Dividend taxation in an infinite-horizon general equilibrium model

OpenAIRE

Pham, Ngoc-Sang

2017-01-01

We consider an infinite-horizon general equilibrium model with heterogeneous agents and financial market imperfections. We investigate the role of dividend taxation on economic growth and asset price. The optimal dividend taxation is also studied.

Transition from thermal to turbulent equilibrium with a resulting electromagnetic spectrum

Energy Technology Data Exchange (ETDEWEB)

Ziebell, L. F., E-mail: luiz.ziebell@ufrgs.br [Instituto de Física, UFRGS, Porto Alegre, RS (Brazil); Yoon, P. H. [Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States); School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of); Gaelzer, R. [Instituto de Física, UFRGS, Porto Alegre, RS (Brazil); Instituto de Física e Matemática, UFPel, Pelotas, RS (Brazil); Pavan, J. [Instituto de Física e Matemática, UFPel, Pelotas, RS (Brazil)

2014-01-15

A recent paper [Ziebell et al., Phys. Plasmas 21, 010701 (2014)] discusses a new type of radiation emission process for plasmas in a state of quasi-equilibrium between the particles and enhanced Langmuir turbulence. Such a system may be an example of the so-called “turbulent quasi-equilibrium.” In the present paper, it is shown on the basis of electromagnetic weak turbulence theory that an initial thermal equilibrium state (i.e., only electrostatic fluctuations and Maxwellian particle distributions) transitions toward the turbulent quasi-equilibrium state with enhanced electromagnetic radiation spectrum, thus demonstrating that the turbulent quasi-equilibrium discussed in the above paper correctly describes the weakly turbulent plasma dynamically interacting with electromagnetic fluctuations, while maintaining a dynamical steady-state in the average sense.

Equilibrium and nonequilibrium attractors for a discrete, selection-migration model

Science.gov (United States)

James F. Selgrade; James H. Roberds

2003-01-01

This study presents a discrete-time model for the effects of selection and immigration on the demographic and genetic compositions of a population. Under biologically reasonable conditions, it is shown that the model always has an equilibrium. Although equilibria for similar models without migration must have real eigenvalues, for this selection-migration model we...

Vapor-liquid equilibrium thermodynamics of N2 + CH4 - Model and Titan applications

Science.gov (United States)

Thompson, W. R.; Zollweg, John A.; Gabis, David H.

1992-01-01

A thermodynamic model is presented for vapor-liquid equilibrium in the N2 + CH4 system, which is implicated in calculations of the Titan tropospheric clouds' vapor-liquid equilibrium thermodynamics. This model imposes constraints on the consistency of experimental equilibrium data, and embodies temperature effects by encompassing enthalpy data; it readily calculates the saturation criteria, condensate composition, and latent heat for a given pressure-temperature profile of the Titan atmosphere. The N2 content of condensate is about half of that computed from Raoult's law, and about 30 percent greater than that computed from Henry's law.

Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys

International Nuclear Information System (INIS)

Zhi-Jun, Wang; Jin-Cheng, Wang; Gen-Cang, Yang

2010-01-01

All the quantitative phase field models try to get rid of the artificial factors of solutal drag, interface diffusion and interface stretch in the diffuse interface. These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys. Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface. The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process. The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed. (cross-disciplinary physics and related areas of science and technology)

Computing diffusivities from particle models out of equilibrium

Science.gov (United States)

Embacher, Peter; Dirr, Nicolas; Zimmer, Johannes; Reina, Celia

2018-04-01

A new method is proposed to numerically extract the diffusivity of a (typically nonlinear) diffusion equation from underlying stochastic particle systems. The proposed strategy requires the system to be in local equilibrium and have Gaussian fluctuations but it is otherwise allowed to undergo arbitrary out-of-equilibrium evolutions. This could be potentially relevant for particle data obtained from experimental applications. The key idea underlying the method is that finite, yet large, particle systems formally obey stochastic partial differential equations of gradient flow type satisfying a fluctuation-dissipation relation. The strategy is here applied to three classic particle models, namely independent random walkers, a zero-range process and a symmetric simple exclusion process in one space dimension, to allow the comparison with analytic solutions.

Once more on the equilibrium-point hypothesis (lambda model) for motor control.

Science.gov (United States)

Feldman, A G

1986-03-01

The equilibrium control hypothesis (lambda model) is considered with special reference to the following concepts: (a) the length-force invariant characteristic (IC) of the muscle together with central and reflex systems subserving its activity; (b) the tonic stretch reflex threshold (lambda) as an independent measure of central commands descending to alpha and gamma motoneurons; (c) the equilibrium point, defined in terms of lambda, IC and static load characteristics, which is associated with the notion that posture and movement are controlled by a single mechanism; and (d) the muscle activation area (a reformulation of the "size principle")--the area of kinematic and command variables in which a rank-ordered recruitment of motor units takes place. The model is used for the interpretation of various motor phenomena, particularly electromyographic patterns. The stretch reflex in the lambda model has no mechanism to follow-up a certain muscle length prescribed by central commands. Rather, its task is to bring the system to an equilibrium, load-dependent position. Another currently popular version defines the equilibrium point concept in terms of alpha motoneuron activity alone (the alpha model). Although the model imitates (as does the lambda model) spring-like properties of motor performance, it nevertheless is inconsistent with a substantial data base on intact motor control. An analysis of alpha models, including their treatment of motor performance in deafferented animals, reveals that they suffer from grave shortcomings. It is concluded that parameterization of the stretch reflex is a basis for intact motor control. Muscle deafferentation impairs this graceful mechanism though it does not remove the possibility of movement.

Equilibrium ignition for ICF capsules

International Nuclear Information System (INIS)

Lackner, K.S.; Colgate, S.A.; Johnson, N.L.; Kirkpatrick, R.C.; Menikoff, R.; Petschek, A.G.

1993-01-01

There are two fundamentally different approaches to igniting DT fuel in an ICF capsule which can be described as equilibrium and hot spot ignition. In both cases, a capsule which can be thought of as a pusher containing the DT fuel is imploded until the fuel reaches ignition conditions. In comparing high-gain ICF targets using cryogenic DT for a pusher with equilibrium ignition targets using high-Z pushers which contain the radiation. The authors point to the intrinsic advantages of the latter. Equilibrium or volume ignition sacrifices high gain for lower losses, lower ignition temperature, lower implosion velocity and lower sensitivity of the more robust capsule to small fluctuations and asymmetries in the drive system. The reduction in gain is about a factor of 2.5, which is small enough to make the more robust equilibrium ignition an attractive alternative

Estimating Dynamic Equilibrium Models using Macro and Financial Data

DEFF Research Database (Denmark)

Christensen, Bent Jesper; Posch, Olaf; van der Wel, Michel

We show that including financial market data at daily frequency, along with macro series at standard lower frequency, facilitates statistical inference on structural parameters in dynamic equilibrium models. Our continuous-time formulation conveniently accounts for the difference in observation...... of the estimators and estimate the model using 20 years of U.S. macro and financial data....

The restricted stochastic user equilibrium with threshold model: Large-scale application and parameter testing

DEFF Research Database (Denmark)

Rasmussen, Thomas Kjær; Nielsen, Otto Anker; Watling, David P.

2017-01-01

Equilibrium model (DUE), by combining the strengths of the Boundedly Rational User Equilibrium model and the Restricted Stochastic User Equilibrium model (RSUE). Thereby, the RSUET model reaches an equilibrated solution in which the flow is distributed according to Random Utility Theory among a consistently...... model improves the behavioural realism, especially for high congestion cases. Also, fast and well-behaved convergence to equilibrated solutions among non-universal choice sets is observed across different congestion levels, choice model scale parameters, and algorithm step sizes. Clearly, the results...... highlight that the RSUET outperforms the MNP SUE in terms of convergence, calculation time and behavioural realism. The choice set composition is validated by using 16,618 observed route choices collected by GPS devices in the same network and observing their reproduction within the equilibrated choice sets...

Examples of equilibrium and non-equilibrium behavior in evolutionary systems

Science.gov (United States)

Soulier, Arne

With this thesis, we want to shed some light into the darkness of our understanding of simply defined statistical mechanics systems and the surprisingly complex dynamical behavior they exhibit. We will do so by presenting in turn one equilibrium and then one non-equilibrium system with evolutionary dynamics. In part 1, we will present the seceder-model, a newly developed system that cannot equilibrate. We will then study several properties of the system and obtain an idea of the richness of the dynamics of the seceder model, which is particular impressive given the minimal amount of modeling necessary in its setup. In part 2, we will present extensions to the directed polymer in random media problem on a hypercube and its connection to the Eigen model of evolution. Our main interest will be the influence of time-dependent and time-independent changes in the fitness landscape viewed by an evolving population. This part contains the equilibrium dynamics. The stochastic models and the topic of evolution and non-equilibrium in general will allow us to point out similarities to the various lines of thought in game theory.

Modeling equilibrium adsorption of organic micropollutants onto activated carbon

KAUST Repository

De Ridder, David J.; Villacorte, Loreen O.; Verliefde, Arne R. D.; Verberk, Jasper Q J C; Heijman, Bas G J; Amy, Gary L.; Van Dijk, Johannis C.

2010-01-01

to these properties occur in parallel, and their respective dominance depends on the solute properties as well as carbon characteristics. In this paper, a model based on multivariate linear regression is described that was developed to predict equilibrium carbon

Adaptive behaviour and multiple equilibrium states in a predator-prey model.

Science.gov (United States)

Pimenov, Alexander; Kelly, Thomas C; Korobeinikov, Andrei; O'Callaghan, Michael J A; Rachinskii, Dmitrii

2015-05-01

There is evidence that multiple stable equilibrium states are possible in real-life ecological systems. Phenomenological mathematical models which exhibit such properties can be constructed rather straightforwardly. For instance, for a predator-prey system this result can be achieved through the use of non-monotonic functional response for the predator. However, while formal formulation of such a model is not a problem, the biological justification for such functional responses and models is usually inconclusive. In this note, we explore a conjecture that a multitude of equilibrium states can be caused by an adaptation of animal behaviour to changes of environmental conditions. In order to verify this hypothesis, we consider a simple predator-prey model, which is a straightforward extension of the classic Lotka-Volterra predator-prey model. In this model, we made an intuitively transparent assumption that the prey can change a mode of behaviour in response to the pressure of predation, choosing either "safe" of "risky" (or "business as usual") behaviour. In order to avoid a situation where one of the modes gives an absolute advantage, we introduce the concept of the "cost of a policy" into the model. A simple conceptual two-dimensional predator-prey model, which is minimal with this property, and is not relying on odd functional responses, higher dimensionality or behaviour change for the predator, exhibits two stable co-existing equilibrium states with basins of attraction separated by a separatrix of a saddle point. Copyright © 2015 Elsevier Inc. All rights reserved.

Non local-thermodynamical-equilibrium effects in the simulation of laser-produced plasmas

International Nuclear Information System (INIS)

Klapisch, M.; Bar-Shalom, A.; Oreg, J.; Colombant, D.

1998-01-01

Local thermodynamic equilibrium (LTE) breaks down in directly or indirectly driven laser plasmas because of sharp gradients, energy deposition, etc. For modeling non-LTE effects in hydrodynamical simulations, Busquet close-quote s model [Phys. Fluids B 5, 4191 (1993)] is very convenient and efficient. It uses off-line generated LTE opacities and equation of states via an effective, radiation-dependent ionization temperature T z . An overview of the model is given. The results are compared with an elaborate collisional radiative model based on superconfigurations. The agreements for average charge Z * and opacities are surprisingly good, even more so when the plasma is immersed in a radiation field. Some remaining discrepancy at low density is attributed to dielectronic recombination. Improvement appears possible, especially for emissivities, because the concept of ionization temperature seems to be validated. copyright 1998 American Institute of Physics

Adiabatic equilibrium models for direct containment heating

International Nuclear Information System (INIS)

Pilch, M.; Allen, M.D.

1991-01-01

Probabilistic risk assessment (PRA) studies are being extended to include a wider spectrum of reactor plants than was considered in NUREG-1150. There is a need for simple direct containment heating (DCH) models that can be used for screening studies aimed at identifying potentially significant contributors to overall risk in individual nuclear power plants. This paper presents two adiabatic equilibrium models suitable for the task. The first, a single-cell model, places a true upper bound on DCH loads. This upper bound, however, often far exceeds reasonable expectations of containment loads based on CONTAIN calculations and experiment observations. In this paper, a two cell model is developed that captures the major mitigating feature of containment compartmentalization, thus providing more reasonable estimates of the containment load

Homogeneous non-equilibrium two-phase critical flow model

International Nuclear Information System (INIS)

Schroeder, J.J.; Vuxuan, N.

1987-01-01

An important aspect of nuclear and chemical reactor safety is the ability to predict the maximum or critical mass flow rate from a break or leak in a pipe system. At the beginning of such a blowdown, if the stagnation condition of the fluid is subcooled or slightly saturated thermodynamic non-equilibrium exists in the downstream, e.g. the fluid becomes superheated to a degree determined by the liquid pressure. A simplified non-equilibrium model, explained in this report, is valid for rapidly decreasing pressure along the flow path. It presumes that fluid has to be superheated by an amount governed by physical principles before it starts to flash into steam. The flow is assumed to be homogeneous, i.e. the steam and liquid velocities are equal. An adiabatic flow calculation mode (Fanno lines) is employed to evaluate the critical flow rate for long pipes. The model is found to satisfactorily describe critical flow tests. Good agreement is obtained with the large scale Marviken tests as well as with small scale experiments. (orig.)

Pre-equilibrium nuclear reactions: An introduction to classical and quantum-mechanical models

International Nuclear Information System (INIS)

Koning, A.J.; Akkermans, J.M.

1999-01-01

In studies of light-ion induced nuclear reactions one distinguishes three different mechanisms: direct, compound and pre-equilibrium nuclear reactions. These reaction processes can be subdivided according to time scales or, equivalently, the number of intranuclear collisions taking place before emission. Furthermore, each mechanism preferably excites certain parts of the nuclear level spectrum and is characterized by different types of angular distributions. This presentation includes description of the classical, exciton model, semi-classical models, with some selected results, and quantum mechanical models. A survey of classical versus quantum-mechanical pre-equilibrium reaction theory is presented including practical applications

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

International Nuclear Information System (INIS)

Assadi, H.

2007-01-01

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

Modified Ammonia Removal Model Based on Equilibrium and Mass Transfer Principles

International Nuclear Information System (INIS)

Shanableh, A.; Imteaz, M.

2010-01-01

Yoon et al. 1 presented an approximate mathematical model to describe ammonia removal from an experimental batch reactor system with gaseous headspace. The development of the model was initially based on assuming instantaneous equilibrium between ammonia in the aqueous and gas phases. In the model, a 'saturation factor, β' was defined as a constant and used to check whether the equilibrium assumption was appropriate. The authors used the trends established by the estimated β values to conclude that the equilibrium assumption was not valid. The authors presented valuable experimental results obtained using a carefully designed system and the model used to analyze the results accounted for the following effects: speciation of ammonia between NH 3 and NH 4 + as a function of pH: temperature dependence of the reactions constants; and air flow rate. In this article, an alternative model based on the exact solution of the governing mass-balance differential equations was developed and used to describe ammonia removal without relying on the use of the saturation factor. The modified model was also extended to mathematically describe the pH dependence of the ammonia removal rate, in addition to accounting for the speciation of ammonia, temperature dependence of reactions constants, and air flow rate. The modified model was used to extend the analysis of the original experimental data presented by Yoon et al. 1 and the results matched the theory in an excellent manner

An Equilibrium Model of User Generated Content

OpenAIRE

Dae-Yong Ahn; Jason A. Duan; Carl F. Mela

2011-01-01

This paper considers the joint creation and consumption of content on user generated content platforms (e.g., reviews or articles, chat, videos, etc.). On these platforms, users' utilities depend upon the participation of others; hence, users' expectations regarding the participation of others on the site becomes germane to their own involvement levels. Yet these beliefs are often assumed to be fixed. Accordingly, we develop a dynamic rational expectations equilibrium model of joint consumpti...

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

Mathematical models and equilibrium in irreversible microeconomics

Directory of Open Access Journals (Sweden)

Anatoly M. Tsirlin

2010-07-01

Full Text Available A set of equilibrium states in a system consisting of economic agents, economic reservoirs, and firms is considered. Methods of irreversible microeconomics are used. We show that direct sale/purchase leads to an equilibrium state which depends upon the coefficients of supply/demand functions. To reach the unique equilibrium state it is necessary to add either monetary exchange or an intermediate firm.

Electronic equilibrium as a function of depth in tissue from cobalt-60 point source exposures

International Nuclear Information System (INIS)

Myrick, J.A.

1994-08-01

The Nuclear Regulatory Commission has set the basic criteria for assessing skin dose stemming from hot particle contaminations. Compliance with 10 CFR 20.101 requires that exposure to the skin be evaluated over a 1 cm 2 area at a depth of 0.007 cm. Skin exposure can arise from both the beta and gamma components of radioactive particles and gamma radiation can contribute significantly to skin doses. The gamma component of dose increases dramatically when layers of protective clothing are interposed between the hot particle source and the skin, and in cases where the hot particle is large in comparison to the range of beta particles. Once the protective clothing layer is thicker than the maximum range of the beta particles, skin dose is due solely to gamma radiation. Charged particle equilibrium is not established at shallow depths. The degree of electronic equilibrium establishment must be assessed for shallow doses to prevent the over-assessment of skin dose because conventional fluence-to-dose conversion factors are not applicable. To assess the effect of electronic equilibrium, selected thicknesses of tissue equivalent material were interposed between radiochromic dye film and a 60 Co hot particle source and dose was measured as a function of depth. These measured values were then compared to models which are used to calculate charged particle equilibrium. The Miller-Reece model was found to agree closely with the experimental data while the Lantz-Lambert model overestimated dose at shallow depths

Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

Science.gov (United States)

Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

2018-03-01

The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

Non-equilibrium quantum heat machines

Science.gov (United States)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-11-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

Non-equilibrium quantum heat machines

International Nuclear Information System (INIS)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-01-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound. (paper)

Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

Science.gov (United States)

Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

2015-08-01

Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. © 2015 The Authors Ecology Letters published by John Wiley & Sons Ltd and CNRS.

Equilibrium statistical mechanics of lattice models

CERN Document Server

Lavis, David A

2015-01-01

Most interesting and difficult problems in equilibrium statistical mechanics concern models which exhibit phase transitions. For graduate students and more experienced researchers this book provides an invaluable reference source of approximate and exact solutions for a comprehensive range of such models. Part I contains background material on classical thermodynamics and statistical mechanics, together with a classification and survey of lattice models. The geometry of phase transitions is described and scaling theory is used to introduce critical exponents and scaling laws. An introduction is given to finite-size scaling, conformal invariance and Schramm—Loewner evolution. Part II contains accounts of classical mean-field methods. The parallels between Landau expansions and catastrophe theory are discussed and Ginzburg—Landau theory is introduced. The extension of mean-field theory to higher-orders is explored using the Kikuchi—Hijmans—De Boer hierarchy of approximations. In Part III the use of alge...

Measurement and Prediction of Radiative Non-Equilibrium for Air Shocks Between 7-9 km/s

Science.gov (United States)

Cruden, Brett A.; Brandis, Aaron M.

2017-01-01

The present paper describes a recent characterization of thermochemical non-equilibrium for shock speeds between 7 and 9 km/s in the NASA Ames Electric Arc Shock Tube (EAST) Facility. Data are spectrally resolved from 190-1450 nm and spatially resolved behind the shock front. The data are analyzed in terms of a spectral non-equilibrium metric, defined as the average radiance within +/- 2 cm of the peak. Simulations with DPLR/NEQAIR using different rate chemistries show these conditions to be poorly replicated. The sources of discrepancy are examined, leading to an update to the NEQAIR non-Boltzmann model and DPLR rate chemistry. New parameters for the rate chemistry and non-Boltzmann modeling are reported.

Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part A

Energy Technology Data Exchange (ETDEWEB)

Badruddin, Irfan Anjum [Dept. of Mechanical Engineering, University of Malaya, Kuala Lumpur, 50603 (Malaysia); Quadir, G. A. [School of Mechatronic Engineering, University Malaysia Perlis, Pauh Putra, 02600 Arau, Perlis (Malaysia)

2016-06-08

Heat transfer in a porous medium embedded with vertical flat plate is investigated by using thermal non-equilibrium model. Darcy model is employed to simulate the flow inside porous medium. It is assumed that the heat transfer takes place by natural convection and radiation. The vertical plate is maintained at isothermal temperature. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method. Results are presented in terms of isotherms and streamlines for various parameters such as heat transfer coefficient parameter, thermal conductivity ratio, and radiation parameter.

Heat transfer in porous medium embedded with vertical plate: Non-equilibrium approach - Part A

International Nuclear Information System (INIS)

Badruddin, Irfan Anjum; Quadir, G. A.

2016-01-01

Heat transfer in a porous medium embedded with vertical flat plate is investigated by using thermal non-equilibrium model. Darcy model is employed to simulate the flow inside porous medium. It is assumed that the heat transfer takes place by natural convection and radiation. The vertical plate is maintained at isothermal temperature. The governing partial differential equations are converted into non-dimensional form and solved numerically using finite element method. Results are presented in terms of isotherms and streamlines for various parameters such as heat transfer coefficient parameter, thermal conductivity ratio, and radiation parameter

Charge equilibrium and radiation of low-energy cosmic rays passing through interstellar medium

International Nuclear Information System (INIS)

Rule, D.W.; Omidvar, K.

1979-01-01

The charge equilibrium and radiation an oxygen and an iron beam in the MeV per nucleon energy range, representing a typical beam of low-energy cosmic rays passing through the interstellar medium, are considered. Electron loss of the beam has been taken into account by means of the first Born approximation allowing for the target atom to remain unexcited, or to be excited to all possible states. Electron-capture cross sections have been calculated by means of the scaled Oppenheimer-Brinkman-Kramers approximation, taking into account of atomic shells of the target atoms and capture into all excited states of the projectile. The capture and loss cross sections are found to be within 20%--30% of the existing experimental values for most of the cases considered. Radiation of the beam due to electron capture into the excited states of the ion, collisional excitation, and collisional inner-shell ionization, taking into account the fluorescence yield of the ions has been considered. Effective X-ray production cross sections and mutliplicities for the most energetic X-ray lines emitted by the Fe and O beams have been calculated, and error estimates made for the results

Charge equilibrium and radiation of low-energy cosmic rays passing through interstellar medium

Science.gov (United States)

Rule, D. W.; Omidvar, K.

1979-01-01

The charge equilibrium and radiation of an oxygen and an iron beam in the MeV per nucleon energy range, representing a typical beam of low-energy cosmic rays passing through the interstellar medium, are considered. Electron loss of the beam has been taken into account by means of the first Born approximation, allowing for the target atom to remain unexcited or to be excited to all possible states. Electron-capture cross sections have been calculated by means of the scaled Oppenheimer-Brinkman-Kramers approximation, taking into account all atomic shells of the target atoms and capture into all excited states of the projectile. The capture and loss cross sections are found to be within 20%-30% of the existing experimental values for most of the cases considered. Radiation of the beam due to electron capture into the excited states of the ion, collisional excitation, and collisional inner-shell ionization, taking into account the fluorescence yield of the ions, has been considered. Effective X-ray production cross sections and multiplicities for the most energetic X-ray lines emitted by the Fe and O beams have been calculated, and error estimates made for the results.

Models of direct reactions and quantum pre-equilibrium for nucleon scattering on spherical nuclei

International Nuclear Information System (INIS)

Dupuis, M.

2006-01-01

When a nucleon collides with a target nucleus, several reactions may occur: elastic and inelastic scatterings, charge exchange... In order to describe these reactions, different models are involved: the direct reactions, pre-equilibrium and compound nucleus models. Our goal is to study, within a quantum framework and without any adjustable parameter, the direct and pre-equilibrium reactions for nucleons scatterings off double closed-shell nuclei. We first consider direct reactions: we are studying nucleon scattering with the Melbourne G-matrix, which represents the interaction between the projectile and one target nucleon, and with random phase approximation (RPA) wave functions which describe all target states. This is a fully microscopic approach since no adjustable parameters are involved. A second part is dedicated to the study of nucleon inelastic scattering for large energy transfer which necessarily involves the pre-equilibrium mechanism. Several models have been developed in the past to deal with pre-equilibrium. They start from the Born expansion of the transition amplitude which is associated to the inelastic process and they use several approximations which have not yet been tested. We have achieved some comparisons between second order cross sections which have been calculated with and without these approximations. Our results allow us to criticize some of these approximations and give several directions to improve the quantum pre-equilibrium models. (author)

Non-LTE modeling of the radiative properties of high-Z plasma using linear response methodology

Science.gov (United States)

Foord, Mark; Harte, Judy; Scott, Howard

2017-10-01

Non-local thermodynamic equilibrium (NLTE) atomic processes play a key role in the radiation flow and energetics in highly ionized high temperature plasma encountered in inertial confinement fusion (ICF) and astrophysical applications. Modeling complex high-Z atomic systems, such as gold used in ICF hohlraums, is particularly challenging given the complexity and intractable number of atomic states involved. Practical considerations, i.e. speed and memory, in large radiation-hydrodynamic simulations further limit model complexity. We present here a methodology for utilizing tabulated NLTE radiative and EOS properties for use in our radiation-hydrodynamic codes. This approach uses tabulated data, previously calculated with complex atomic models, modified to include a general non-Planckian radiation field using a linear response methodology. This approach extends near-LTE response method to conditions far from LTE. Comparisons of this tabular method with in-line NLTE simulations of a laser heated 1-D hohlraum will be presented, which show good agreement in the time-evolution of the plasma conditions. This work was performed under the auspices of the U.S. Dept. of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Modeling Inflation Using a Non-Equilibrium Equation of Exchange

Science.gov (United States)

Chamberlain, Robert G.

2013-01-01

Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

Solid-Liquid equilibrium of n-alkanes using the Chain Delta Lattice Parameter model

DEFF Research Database (Denmark)

Coutinho, João A.P.; Andersen, Simon Ivar; Stenby, Erling Halfdan

1996-01-01

The formation of a solid phase in liquid mixtures with large paraffinic molecules is a phenomenon of interest in the petroleum, pharmaceutical, and biotechnological industries among onters. Efforts to model the solid-liquid equilibrium in these systems have been mainly empirical and with different...... degrees of success.An attempt to describe the equilibrium between the high temperature form of a paraffinic solid solution, commonly known as rotator phase, and the liquid phase is performed. The Chain Delta Lattice Parameter model (CDLP) is developed allowing a successful description of the solid-liquid...... equilibrium of n-alkanes ranging from n-C_20 to n-C_40.The model is further modified to achieve a more correct temperature dependence because it severely underestimates the excess enthalpy. It is shown that the ratio of excess enthalpy and entropy for n-alkane solid solutions, as happens for other solid...

Modeling radiative transport in ICF plasmas on an IBM SP2 supercomputer

International Nuclear Information System (INIS)

Johansen, J.A.; MacFarlane, J.J.; Moses, G.A.

1995-01-01

At the University of Wisconsin-Madison the authors have integrated a collisional-radiative-equilibrium model into their CONRAD radiation-hydrodynamics code. This integrated package allows them to accurately simulate the transport processes involved in ICF plasmas; including the important effects of self-absorption of line-radiation. However, as they increase the amount of atomic structure utilized in their transport models, the computational demands increase nonlinearly. In an attempt to meet this increased computational demand, they have recently embarked on a mission to parallelize the CONRAD program. The parallel CONRAD development is being performed on an IBM SP2 supercomputer. The parallelism is based on a message passing paradigm, and is being implemented using PVM. At the present time they have determined that approximately 70% of the sequential program can be executed in parallel. Accordingly, they expect that the parallel version will yield a speedup on the order of three times that of the sequential version. This translates into only 10 hours of execution time for the parallel version, whereas the sequential version required 30 hours

A development of multi-Species mass transport model considering thermodynamic phase equilibrium

DEFF Research Database (Denmark)

Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

2008-01-01

) variation in solid-phase composition when using different types of cement, (ii) physicochemical evaluation of steel corrosion initiation behaviour by calculating the molar ratio of chloride ion to hydroxide ion [Cl]/[OH] in pore solution, (iii) complicated changes of solid-phase composition caused......In this paper, a multi-species mass transport model, which can predict time dependent variation of pore solution and solid-phase composition due to the mass transport into the hardened cement paste, has been developed. Since most of the multi-species models established previously, based...... on the Poisson-Nernst-Planck theory, did not involve the modeling of chemical process, it has been coupled to thermodynamic equilibrium model in this study. By the coupling of thermodynamic equilibrium model, the multi-species model could simulate many different behaviours in hardened cement paste such as: (i...

Foundations and models of pre-equilibrium decay

International Nuclear Information System (INIS)

Bunakov, V.E.

1980-01-01

A review is given of the presently existing microscopic, semi-phenomenologic and phenomenologic models used for the description of nuclear reactions. Their advantages and drawbacks are analyzed. A special attention is given to the analysis of pre-equilibrium decay phenomenological models based on the use of master equations (time-dependent versions of exciton models, intranuclear cascade, etc.). A version of the unified theory of nuclear reactions is discussed which makes use of quantum master equations for finite open systems. The conditions are formulated for the derivation of these equations from the time-dependent Schroedinger equation for the many-body problem. The various models of nuclear reactions used in practice are shown to be approximate solutions of master equations for finite open systems. From this point of view the analysis is carried out of these models' reliability in the description of experimental data. Possible modifications are considered which provide for better agreement between the different models and for the more exact description of experimental data. (author)

Quantity Constrained General Equilibrium

NARCIS (Netherlands)

Babenko, R.; Talman, A.J.J.

2006-01-01

In a standard general equilibrium model it is assumed that there are no price restrictions and that prices adjust infinitely fast to their equilibrium values.In case of price restrictions a general equilibrium may not exist and rationing on net demands or supplies is needed to clear the markets.In

Equilibrium and off-equilibrium trap-size scaling in one-dimensional ultracold bosonic gases

International Nuclear Information System (INIS)

Campostrini, Massimo; Vicari, Ettore

2010-01-01

We study some aspects of equilibrium and off-equilibrium quantum dynamics of dilute bosonic gases in the presence of a trapping potential. We consider systems with a fixed number of particles and study their scaling behavior with increasing the trap size. We focus on one-dimensional bosonic systems, such as gases described by the Lieb-Liniger model and its Tonks-Girardeau limit of impenetrable bosons, and gases constrained in optical lattices as described by the Bose-Hubbard model. We study their quantum (zero-temperature) behavior at equilibrium and off equilibrium during the unitary time evolution arising from changes of the trapping potential, which may be instantaneous or described by a power-law time dependence, starting from the equilibrium ground state for an initial trap size. Renormalization-group scaling arguments and analytical and numerical calculations show that the trap-size dependence of the equilibrium and off-equilibrium dynamics can be cast in the form of a trap-size scaling in the low-density regime, characterized by universal power laws of the trap size, in dilute gases with repulsive contact interactions and lattice systems described by the Bose-Hubbard model. The scaling functions corresponding to several physically interesting observables are computed. Our results are of experimental relevance for systems of cold atomic gases trapped by tunable confining potentials.

Prediction of the working parameters of a wood waste gasifier through an equilibrium model

Energy Technology Data Exchange (ETDEWEB)

Altafini, Carlos R.; Baretto, Ronaldo M. [Caxias do Sul Univ., Dept. of Mechanical Engineering, Caxias do Sul, RS (Brazil); Wander, Paulo R. [Caxias do Sul Univ., Dept. of Mechanical Engineering, Caxias do Sul, RS (Brazil); Federal Univ. of Rio Grande do Sul State (UFRGS), Mechanical Engineering Postgraduation Program (PROMEC), RS (Brazil)

2003-10-01

This paper deals with the computational simulation of a wood waste (sawdust) gasifier using an equilibrium model based on minimization of the Gibbs free energy. The gasifier has been tested with Pinus Elliotis sawdust, an exotic specie largely cultivated in the South of Brazil. The biomass used in the tests presented a moisture of nearly 10% (wt% on wet basis), and the average composition results of the gas produced (without tar) are compared with the equilibrium models used. Sensitivity studies to verify the influence of the moisture sawdust content on the fuel gas composition and on its heating value were made. More complex models to reproduce with better accuracy the gasifier studied were elaborated. Although the equilibrium models do not represent the reactions that occur at relatively high temperatures ( {approx_equal} 800 deg C) very well, these models can be useful to show some tendencies on the working parameter variations of a gasifier. (Author)

A numerical model for simulating electroosmotic micro- and nanochannel flows under non-Boltzmann equilibrium

Energy Technology Data Exchange (ETDEWEB)

Kim, Kyoungjin; Kwak, Ho Sang [School of Mechanical Engineering, Kumoh National Institute of Technology, 1 Yangho, Gumi, Gyeongbuk 730-701 (Korea, Republic of); Song, Tae-Ho, E-mail: kimkj@kumoh.ac.kr, E-mail: hskwak@kumoh.ac.kr, E-mail: thsong@kaist.ac.kr [Department of Mechanical, Aerospace and Systems Engineering, Korea Advanced Institute of Science and Technology, 373-1 Guseong, Yuseong, Daejeon 305-701 (Korea, Republic of)

2011-08-15

This paper describes a numerical model for simulating electroosmotic flows (EOFs) under non-Boltzmann equilibrium in a micro- and nanochannel. The transport of ionic species is represented by employing the Nernst-Planck equation. Modeling issues related to numerical difficulties are discussed, which include the handling of boundary conditions based on surface charge density, the associated treatment of electric potential and the evasion of nonlinearity due to the electric body force. The EOF in the entrance region of a straight channel is examined. The numerical results show that the present model is useful for the prediction of the EOFs requiring a fine resolution of the electric double layer under either the Boltzmann equilibrium or non-equilibrium. Based on the numerical results, the correlation between the surface charge density and the zeta potential is investigated.

Nonequilibrium thermodynamic models and applications to hydrogen plasma

International Nuclear Information System (INIS)

Cho, K.Y.

1988-01-01

A generalized multithermal equilibrium (GMTE) thermodynamic model is developed and presented with applications to hydrogen. A new chemical equilibrium equation for GMTE is obtained without the ensemble temperature concept, used by a previous MTE model. The effects of the GMTE model on the derivation and calculation of the thermodynamic, transport, and radiative properties are presented and significant differences from local thermal equilibrium (LTE) and two temperature model are discussed. When the electron translational temperature (T e ) is higher than the translational temperature of the heavy particles, the effects of hydrogen molecular species to the properties are significant at high T e compared with LTE results. The density variations of minor species are orders of magnitude with kinetic nonequilibrium at a constant electron temperature. A collisional-radiative model is also developed with the GMTE chemical equilibrium equation to study the effects of radiative transfer and the ambipolar diffusion on the population distribution of the excited atoms. The nonlocal radiative transfer effect is parameterized by an absorption factor, which is defined as a ratio of the absorbed intensity to the spontaneous emission coefficient

African wildlife and people : finding solutions where equilibrium models fail

NARCIS (Netherlands)

Poshiwa, X.

2013-01-01

Grazing systems, covering about half of the terrestrial surface, tend to be either equilibrial or non-equilibrial in nature, largely depending on the environmental stochasticity.The equilibrium model perspective stresses the importance of biotic feedbacks between herbivores and their resource,

Ignition conditions relaxation for central hot-spot ignition with an ion-electron non-equilibrium model

Science.gov (United States)

Fan, Zhengfeng; Liu, Jie

2016-10-01

We present an ion-electron non-equilibrium model, in which the hot-spot ion temperature is higher than its electron temperature so that the hot-spot nuclear reactions are enhanced while energy leaks are considerably reduced. Theoretical analysis shows that the ignition region would be significantly enlarged in the hot-spot rhoR-T space as compared with the commonly used equilibrium model. Simulations show that shocks could be utilized to create and maintain non-equilibrium conditions within the hot spot, and the hot-spot rhoR requirement is remarkably reduced for achieving self-heating. In NIF high-foot implosions, it is observed that the x-ray enhancement factors are less than unity, which is not self-consistent and is caused by assuming Te =Ti. And from this non-consistency, we could infer that ion-electron non-equilibrium exists in the high-foot implosions and the ion temperature could be 9% larger than the equilibrium temperature.

Numerical solution of dynamic equilibrium models under Poisson uncertainty

DEFF Research Database (Denmark)

Posch, Olaf; Trimborn, Timo

2013-01-01

We propose a simple and powerful numerical algorithm to compute the transition process in continuous-time dynamic equilibrium models with rare events. In this paper we transform the dynamic system of stochastic differential equations into a system of functional differential equations of the retar...... solution to Lucas' endogenous growth model under Poisson uncertainty are used to compute the exact numerical error. We show how (potential) catastrophic events such as rare natural disasters substantially affect the economic decisions of households....

An applied general equilibrium model for Dutch agribusiness policy analysis

NARCIS (Netherlands)

Peerlings, J.

1993-01-01

The purpose of this thesis was to develop a basic static applied general equilibrium (AGE) model to analyse the effects of agricultural policy changes on Dutch agribusiness. In particular the effects on inter-industry transactions, factor demand, income, and trade are of

Immunity by equilibrium.

Science.gov (United States)

Eberl, Gérard

2016-08-01

The classical model of immunity posits that the immune system reacts to pathogens and injury and restores homeostasis. Indeed, a century of research has uncovered the means and mechanisms by which the immune system recognizes danger and regulates its own activity. However, this classical model does not fully explain complex phenomena, such as tolerance, allergy, the increased prevalence of inflammatory pathologies in industrialized nations and immunity to multiple infections. In this Essay, I propose a model of immunity that is based on equilibrium, in which the healthy immune system is always active and in a state of dynamic equilibrium between antagonistic types of response. This equilibrium is regulated both by the internal milieu and by the microbial environment. As a result, alteration of the internal milieu or microbial environment leads to immune disequilibrium, which determines tolerance, protective immunity and inflammatory pathology.

Phase equilibrium modeling of gas hydrate systems for CO2 capture

DEFF Research Database (Denmark)

Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens

2012-01-01

to form from vapor phases with initial mole fractions of CO2 at or above 0.15.The two models are validated against mixed hydrate equilibrium data found in literature. Both dissociation pressures and hydrate compositions are considered in the validation process.With the fitted parameters, Model I predicts...

An experiment on radioactive equilibrium and its modelling using the ‘radioactive dice’ approach

Science.gov (United States)

Santostasi, Davide; Malgieri, Massimiliano; Montagna, Paolo; Vitulo, Paolo

2017-07-01

In this article we describe an educational activity on radioactive equilibrium we performed with secondary school students (17-18 years old) in the context of a vocational guidance stage for talented students at the Department of Physics of the University of Pavia. Radioactive equilibrium is investigated experimentally by having students measure the activity of 214Bi from two different samples, obtained using different preparation procedures from an uraniferous rock. Students are guided in understanding the mathematical structure of radioactive equilibrium through a modelling activity in two parts. Before the lab measurements, a dice game, which extends the traditional ‘radioactive dice’ activity to the case of a chain of two decaying nuclides, is performed by students divided into small groups. At the end of the laboratory work, students design and run a simple spreadsheet simulation modelling the same basic radioactive chain with user defined decay constants. By setting the constants to realistic values corresponding to nuclides of the uranium decay chain, students can deepen their understanding of the meaning of the experimental data, and also explore the difference between cases of non-equilibrium, transient and secular equilibrium.

Measuring productivity differences in equilibrium search models

DEFF Research Database (Denmark)

Lanot, Gauthier; Neumann, George R.

1996-01-01

Equilibrium search models require unobserved heterogeneity in productivity to fit observed wage distribution data, but provide no guidance about the location parameter of the heterogeneity. In this paper we show that the location of the productivity heterogeneity implies a mode in a kernel density...... estimate of the wage distribution. The number of such modes and their location are identified using bump hunting techniques due to Silverman (1981). These techniques are applied to Danish panel data on workers and firms. These estimates are used to assess the importance of employer wage policy....

RADIATION HYDRODYNAMICS MODELS OF THE INNER RIM IN PROTOPLANETARY DISKS

Energy Technology Data Exchange (ETDEWEB)

Flock, M.; Turner, N. J. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Fromang, S. [Laboratoire AIM, CEA/DSM-CNRS-Université Paris 7, Irfu/Service d’Astrophysique, CEA-Saclay, F-91191 Gif-sur-Yvette (France); Benisty, M., E-mail: mflock@caltech.edu [Université Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble (France)

2016-08-20

Many stars host planets orbiting within a few astronomical units (AU). The occurrence rate and distributions of masses and orbits vary greatly with the host star’s mass. These close planets’ origins are a mystery that motivates investigating protoplanetary disks’ central regions. A key factor governing the conditions near the star is the silicate sublimation front, which largely determines where the starlight is absorbed, and which is often called the inner rim. We present the first radiation hydrodynamical modeling of the sublimation front in the disks around the young intermediate-mass stars called Herbig Ae stars. The models are axisymmetric and include starlight heating; silicate grains sublimating and condensing to equilibrium at the local, time-dependent temperature and density; and accretion stresses parameterizing the results of MHD magnetorotational turbulence models. The results compare well with radiation hydrostatic solutions and prove to be dynamically stable. Passing the model disks into Monte Carlo radiative transfer calculations, we show that the models satisfy observational constraints on the inner rim’s location. A small optically thin halo of hot dust naturally arises between the inner rim and the star. The inner rim has a substantial radial extent, corresponding to several disk scale heights. While the front’s overall position varies with the stellar luminosity, its radial extent depends on the mass accretion rate. A pressure maximum develops near the location of thermal ionization at temperatures of about 1000 K. The pressure maximum is capable of halting solid pebbles’ radial drift and concentrating them in a zone where temperatures are sufficiently high for annealing to form crystalline silicates.

Relation between absorbed dose, charged particle equilibrium and nuclear transformations: A non-equilibrium thermodynamics point of view

International Nuclear Information System (INIS)

Alvarez-Romero, J. T.

2006-01-01

We present a discussion to show that the absorbed dose D is a time-dependent function. This time dependence is demonstrated based on the concepts of charged particle equilibrium and on radiation equilibrium within the context of thermodynamic non-equilibrium. In the latter, the time dependence is due to changes of the rest mass energy of the nuclei and elementary particles involved in the terms ΣQ and Q that appear in the definitions of energy imparted ε and energy deposit ε i , respectively. In fact, nothing is said about the averaging operation of the non-stochastic quantity mean energy imparted ε-bar, which is used in the definition of D according to ICRU 60. It is shown in this research that the averaging operation necessary to define the ε-bar employed to get D cannot be performed with an equilibrium statistical operator ρ(r) as could be expected. Rather, the operation has to be defined with a time-dependent non-equilibrium statistical operator (r, t) therefore, D is a time-dependent function D(r, t). (authors)

The weighted-sum-of-gray-gases model for arbitrary solution methods in radiative transfer

International Nuclear Information System (INIS)

Modest, M.F.

1991-01-01

In this paper the weighted-sum-of-gray-gases approach for radiative transfer in non-gray participating media, first developed by Hottel in the context of the zonal method, has been shown to be applicable to the general radiative equation of transfer. Within the limits of the weighted-sum-of-gray-gases model (non-scattering media within a black-walled enclosure) any non-gray radiation problem can be solved by any desired solution method after replacing the medium by an equivalent small number of gray media with constant absorption coefficients. Some examples are presented for isothermal media and media at radiative equilibrium, using the exact integral equations as well as the popular P-1 approximation of the equivalent gray media solution. The results demonstrate the equivalency of the method with the quadrature of spectral results, as well as the tremendous computer times savings (by a minimum of 95%) which are achieved

Overshoot in biological systems modelled by Markov chains: a non-equilibrium dynamic phenomenon.

Science.gov (United States)

Jia, Chen; Qian, Minping; Jiang, Daquan

2014-08-01

A number of biological systems can be modelled by Markov chains. Recently, there has been an increasing concern about when biological systems modelled by Markov chains will perform a dynamic phenomenon called overshoot. In this study, the authors found that the steady-state behaviour of the system will have a great effect on the occurrence of overshoot. They showed that overshoot in general cannot occur in systems that will finally approach an equilibrium steady state. They further classified overshoot into two types, named as simple overshoot and oscillating overshoot. They showed that except for extreme cases, oscillating overshoot will occur if the system is far from equilibrium. All these results clearly show that overshoot is a non-equilibrium dynamic phenomenon with energy consumption. In addition, the main result in this study is validated with real experimental data.

Isospin equilibrium and non-equilibrium in heavy-ion collisions at intermediate energies

International Nuclear Information System (INIS)

Chen Liewen; Ge Lingxiao; Zhang Xiaodong; Zhang Fengshou

1997-01-01

The equilibrium and non-equilibrium of the isospin degree of freedom are studied in terms of an isospin-dependent QMD model, which includes isospin-dependent symmetry energy, Coulomb energy, N-N cross sections and Pauli blocking. It is shown that there exists a transition from the isospin equilibrium to non-equilibrium as the incident energy from below to above a threshold energy in central, asymmetric heavy-ion collisions. Meanwhile, it is found that the phenomenon results from the co-existence and competition of different reaction mechanisms, namely, the isospin degree of freedom reaches an equilibrium if the incomplete fusion (ICF) component is dominant and does not reach equilibrium if the fragmentation component is dominant. Moreover, it is also found that the isospin-dependent N-N cross sections and symmetry energy are crucial for the equilibrium of the isospin degree of freedom in heavy-ion collisions around the Fermi energy. (author)

A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

Science.gov (United States)

2016-02-29

development a tightly coupled magneto-hydrodynamic model for Inductively Coupled Radio- Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE...for Inductively Coupled Radio-Frequency (RF) Plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State...Inductively Coupled Plasma (ICP) torches have wide range of possible applications which include deposition of metal coatings, synthesis of ultra-fine powders

Phase equilibrium engineering

CERN Document Server

Brignole, Esteban Alberto

2013-01-01

Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and

Analysis of radioactive-matter interaction near thermodynamical equilibrium states

International Nuclear Information System (INIS)

Damamme, G.

1993-01-01

We study the absorption/emission process of photon by matter in the framework of a radiativo-collisionnal model of atom, a thermodynamical approach being used. The considered matter description is the atomic sphere one. First we give the expression of the balance equation around an equilibrium state. Then we express the atomic populations in function of the characteristics of the radiation and of the free electrons and of their time history. This permit us to interpret the photon balance as being due to true emission/absorption process of photons as well as fluorescence terms, all these processes being affected by relaxation effects. The total energy balance between matter and radiation can also be analyzed in the same way and conduct to introduce one photon effective interactions terms for each radiative proper mode, terms also affected by retardation effects. Such a taking into account of atom populations has no consequence on the radiative flux equation (i.e. the transfer opacity) but can considerably modify the energy balance between matter and radiation. (author). 11 refs., 3 figs

Equilibrium Bird Species Diversity in Atlantic Islands.

Science.gov (United States)

Valente, Luis; Illera, Juan Carlos; Havenstein, Katja; Pallien, Tamara; Etienne, Rampal S; Tiedemann, Ralph

2017-06-05

Half a century ago, MacArthur and Wilson proposed that the number of species on islands tends toward a dynamic equilibrium diversity around which species richness fluctuates [1]. The current prevailing view in island biogeography accepts the fundamentals of MacArthur and Wilson's theory [2] but questions whether their prediction of equilibrium can be fulfilled over evolutionary timescales, given the unpredictable and ever-changing nature of island geological and biotic features [3-7]. Here we conduct a complete molecular phylogenetic survey of the terrestrial bird species from four oceanic archipelagos that make up the diverse Macaronesian bioregion-the Azores, the Canary Islands, Cape Verde, and Madeira [8, 9]. We estimate the times at which birds colonized and speciated in the four archipelagos, including many previously unsampled endemic and non-endemic taxa and their closest continental relatives. We develop and fit a new multi-archipelago dynamic stochastic model to these data, explicitly incorporating information from 91 taxa, both extant and extinct. Remarkably, we find that all four archipelagos have independently achieved and maintained a dynamic equilibrium over millions of years. Biogeographical rates are homogeneous across archipelagos, except for the Canary Islands, which exhibit higher speciation and colonization. Our finding that the avian communities of the four Macaronesian archipelagos display an equilibrium diversity pattern indicates that a diversity plateau may be rapidly achieved on islands where rates of in situ radiation are low and extinction is high. This study reveals that equilibrium processes may be more prevalent than recently proposed, supporting MacArthur and Wilson's 50-year-old theory. Copyright © 2017 Elsevier Ltd. All rights reserved.

Viscous-shock-layer solutions with coupled radiation and ablation injection for earth entry

Science.gov (United States)

Gupta, Roop N.; Lee, Kam-Pui; Moos, James N.; Sutton, Kenneth

1990-01-01

Results are obtained for the forebody of a planetary exploration vehicle entering the earth's atmosphere. A viscous-shock-layer analysis is used assuming the flow to be laminar and in chemical equilibrium. Presented results include coupled radiation and ablation injection. This study further includes the effect of different transport and thermodynamic properties and radiation models. A Lewis number of 1.4 appears adequate for the radiation-dominated flows. Five velocities corresponding to different possible trajectory points at an altitude of 70 km have been further analyzed in detail. Sublimation and radiative equilibrium wall temperatures are employed for cases with and without coupled injection, respectively. For the cases analyzed here, the mass injection rates are small. However, the rates could become large if a lower altitude is used for aerobraking and/or the body size is increased. A comparison of the equilibrium results with finite-rate chemistry calculation shows the flowfield to be in chemical equilibrium.

Estuarine Facies Model Revisited: Conceptual Model of Estuarine Sediment Dynamics During Non-Equilibrium Conditions

Science.gov (United States)

Elliott, E. A.; Rodriguez, A. B.; McKee, B. A.

2017-12-01

Traditional models of estuarine systems show deposition occurs primarily within the central basin. There, accommodation space is high within the deep central valley, which is below regional wave base and where current energy is presumed to reach a relative minimum, promoting direct deposition of cohesive sediment and minimizing erosion. However, these models often reflect long-term (decadal-millennial) timescales, where accumulation rates are in relative equilibrium with the rate of relative sea-level rise, and lack the resolution to capture shorter term changes in sediment deposition and erosion within the central estuary. This work presents a conceptual model for estuarine sedimentation during non-equilibrium conditions, where high-energy inputs to the system reach a relative maximum in the central basin, resulting in temporary deposition and/or remobilization over sub-annual to annual timescales. As an example, we present a case study of Core Sound, NC, a lagoonal estuarine system where the regional base-level has been reached, and sediment deposition, resuspension and bypassing is largely a result of non-equilibrium, high-energy events. Utilizing a 465 cm-long sediment core from a mini-basin located between Core Sound and the continental shelf, a 40-year sub-annual chronology was developed for the system, with sediment accumulation rates (SAR) interpolated to a monthly basis over the 40-year record. This study links erosional processes in the estuary directly with sediment flux to the continental shelf, taking advantage of the highly efficient sediment trapping capability of the mini-basin. The SAR record indicates high variation in the estuarine sediment supply, with peaks in the SAR record at a recurrence interval of 1 year (+/- 0.25). This record has been compared to historical storm influence for the area. Through this multi-decadal record, sediment flushing events occur at a much more frequent interval than previously thought (i.e. annual rather than

A model on CME/Flare initiation: Loss of Equilibrium caused by mass loss of quiescent prominences

Science.gov (United States)

Miley, George; Chon Nam, Sok; Kim, Mun Song; Kim, Jik Su

2015-08-01

Coronal Mass Ejections (CMEs) model should give an answer to enough energy storage for giant bulk plasma into interplanetary space to escape against the sun’s gravitation and its explosive eruption. Advocates of ‘Mass Loading’ model (e.g. Low, B. 1996, SP, 167, 217) suggested a simple mechanism of CME initiation, the loss of mass from a prominence anchoring magnetic flux rope, but they did not associate the mass loss with the loss of equilibrium. The catastrophic loss of equilibrium model is considered as to be a prospective CME/Flare model to explain sudden eruption of magnetic flux systems. Isenberg, P. A., et al (1993, ApJ, 417, 368)developed ideal magnetohydrodynamic theory of the magnetic flux rope to show occurrence of catastrophic loss of equilibrium according to increasing magnetic flux transported into corona.We begin with extending their study including gravity on prominence’s material to obtain equilibrium curves in case of given mass parameters, which are the strengths of the gravitational force compared with the characteristic magnetic force. Furthermore, we study quasi-static evolution of the system including massive prominence flux rope and current sheet below it to obtain equilibrium curves of prominence’s height according to decreasing mass parameter in a properly fixed magnetic environment. The curves show equilibrium loss behaviors to imply that mass loss result in equilibrium loss. Released fractions of magnetic energy are greater than corresponding zero-mass case. This eruption mechanism is expected to be able to apply to the eruptions of quiescent prominences, which is located in relatively weak magnetic environment with 105 km of scale length and 10G of photospheric magnetic field.

Development of comprehensive models for opacities and radiation transport for IFE systems

International Nuclear Information System (INIS)

Tolkach, V.; Morozov, V.; Hassanein, A.

2003-01-01

An ignition in an inertial confinement fusion (ICF) reactor results in X-ray spectra and ion fluxes moving toward the chamber wall with different velocities. During flight, parts of the energy will be deposited either in the residual and/or protective chamber gas or in the initial vapor cloud developed near the wall surface from vaporization. The deposited energy will be re-radiated to the chamber wall long after the ignition process. The exact amount of energy deposited/radiated and time of deposition are key issues in evaluating the chamber response and the economical feasibility of an ICF reactor. The radiation processes in the protective gas layer or in the vapor cloud developed above the first wall play an important role in the overall dynamics of the ICF chamber. A self-consistent field method has been developed to calculate ionization potentials, atom and ion energy levels, transition probabilities, and other atomic properties used to calculate thermodynamic and optical characteristics of the plasma by means of collisional-radiation equilibrium (CRE). The methodology of solving radiation transport equations in spherical geometry and the dependence of results on the chosen theoretical model are demonstrated using the method of inward/outward directions

Non-Equilibrium Modeling of Inductively Coupled RF Plasmas

Science.gov (United States)

2015-01-01

wall can be approximated with the expression for an infinite solenoid , B(r = R) = µ0NIc, where quan- tities N and Ic are the number of turns per unit...Modeling of non-equilibrium plasmas in an induc- tively coupled plasma facility. AIAA Paper 2014– 2235, 2014. 45th AIAA Plasmadynamics and Lasers ...1993. 24th Plas- madynamics and Laser Conference, Orlando, FL. [22] M. Capitelli, I. Armenise, D. Bruno, M. Caccia- tore, R. Celiberto, G. Colonna, O

Assessing and optimizing the economic and environmental impacts of cogeneration/district energy systems using an energy equilibrium model

International Nuclear Information System (INIS)

Wu, Y.J.; Rosen, M.A.

1999-01-01

Energy equilibrium models can be valuable aids in energy planning and decision-making. In such models, supply is represented by a cost-minimizing linear submodel and demand by a smooth vector-valued function of prices. In this paper, we use the energy equilibrium model to study conventional systems and cogeneration-based district energy (DE) systems for providing heating, cooling and electrical services, not only to assess the potential economic and environmental benefits of cogeneration-based DE systems, but also to develop optimal configurations while accounting for such factors as economics and environmental impact. The energy equilibrium model is formulated and solved with software called WATEMS, which uses sequential non-linear programming to calculate the intertemporal equilibrium of energy supplies and demands. The methods of analysis and evaluation for the economic and environmental impacts are carefully explored. An illustrative energy equilibrium model of conventional and cogeneration-based DE systems is developed within WATEMS to compare quantitatively the economic and environmental impacts of those systems for various scenarios. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

A new equilibrium trading model with asymmetric information

Directory of Open Access Journals (Sweden)

Lianzhang Bao

2018-03-01

Full Text Available Taking arbitrage opportunities into consideration in an incomplete market, dealers will pricebonds based on asymmetric information. The dealer with the best offering price wins the bid. The riskpremium in dealer’s offering price is primarily determined by the dealer’s add-on rate of change tothe term structure. To optimize the trading strategy, a new equilibrium trading model is introduced.Optimal sequential estimation scheme for detecting the risk premium due to private inforamtion isproposed based on historical prices, and the best bond pricing formula is given with the accordingoptimal trading strategy. Numerical examples are provided to illustrate the economic insights underthe certain stochastic term structure interest rate models.

NHPP-Based Software Reliability Models Using Equilibrium Distribution

Science.gov (United States)

Xiao, Xiao; Okamura, Hiroyuki; Dohi, Tadashi

Non-homogeneous Poisson processes (NHPPs) have gained much popularity in actual software testing phases to estimate the software reliability, the number of remaining faults in software and the software release timing. In this paper, we propose a new modeling approach for the NHPP-based software reliability models (SRMs) to describe the stochastic behavior of software fault-detection processes. The fundamental idea is to apply the equilibrium distribution to the fault-detection time distribution in NHPP-based modeling. We also develop efficient parameter estimation procedures for the proposed NHPP-based SRMs. Through numerical experiments, it can be concluded that the proposed NHPP-based SRMs outperform the existing ones in many data sets from the perspective of goodness-of-fit and prediction performance.

Coupled radiative gasdynamic interaction and non-equilibrium dissociation for large-scale returned space vehicles

International Nuclear Information System (INIS)

Surzhikov, S.

2012-01-01

Graphical abstract: It has been shown that different coupled vibrational dissociation models, being applied for solving coupled radiative gasdynamic problems for large size space vehicles, exert noticeable effect on radiative heating of its surface at orbital entry on high altitudes (h ⩾ 70 km). This influence decreases with decreasing the space vehicles sizes. Figure shows translational (solid lines) and vibrational (dashed lines) temperatures in shock layer with (circle markers) and without (triangles markers) radiative-gasdynamic interaction for one trajectory point of entering space vehicle. Highlights: ► Nonequilibrium dissociation processes exert effect on radiation heating of space vehicles (SV). ► The radiation gas dynamic interaction enhances this influence. ► This influence increases with increasing the SV sizes. - Abstract: Radiative aerothermodynamics of large-scale space vehicles is considered for Earth orbital entry at zero angle of attack. Brief description of used radiative gasdynamic model of physically and chemically nonequilibrium, viscous, heat conductive and radiative gas of complex chemical composition is presented. Radiation gasdynamic (RadGD) interaction in high temperature shock layer is studied by means of numerical experiment. It is shown that radiation–gasdynamic coupling for orbital space vehicles of large size is important for high altitude part of entering trajectory. It is demonstrated that the use of different models of coupled vibrational dissociation (CVD) in conditions of RadGD interaction gives rise temperature variation in shock layer and, as a result, leads to significant variation of radiative heating of space vehicle.

Numerical simulations of radiation hydrodynamics and modeling of high temperature hohlraum cavities

International Nuclear Information System (INIS)

Gupta, N.K.; Godwal, B.K.

2003-10-01

A summary of our efforts towards the validation of radiation hydrodynamics and opacity models are presented. Effects of various parameters on the radiation temperature inside an inertial confinement fusion (ICF) hohlraum, the effects of non-local thermodynamic equilibrium conditions on emission and absorption, and the hydrodynamics of aluminium and gold foils driven by radiation are studied. LTE and non-LTE predictions for emitted radiation are compared with the experimental results and it is seen that non-LTE simulations show a marked improvement over LTE results. It is shown that the mixing of two high Z materials can lead to an enhancement in the Rosseland mean. An experimental study of soft x-ray emission from laser-irradiated Au-Cu mix-Z targets confirmed these predictions. It is seen that only multi group non-LTE radiation transport is able to explain experimentally observed features in the conversion efficiency of laser light to x-rays. One group radiation transport under predicts the radiation temperature. It is shown that erroneous results can be obtained if the space mesh in the hohlraum wall is not fine enough. Hydrodynamics of a wedge shaped aluminium foil driven by the hohlraum radiation is also presented and results are compared with NOVA laser experiments. Laser driven shock wave EOS and gold hohlraum experiments carried out at CAT are analyzed and they confirmed our theoretical estimates. (author)

Recent tests of the equilibrium-point hypothesis (lambda model).

Science.gov (United States)

Feldman, A G; Ostry, D J; Levin, M F; Gribble, P L; Mitnitski, A B

1998-07-01

The lambda model of the equilibrium-point hypothesis (Feldman & Levin, 1995) is an approach to motor control which, like physics, is based on a logical system coordinating empirical data. The model has gone through an interesting period. On one hand, several nontrivial predictions of the model have been successfully verified in recent studies. In addition, the explanatory and predictive capacity of the model has been enhanced by its extension to multimuscle and multijoint systems. On the other hand, claims have recently appeared suggesting that the model should be abandoned. The present paper focuses on these claims and concludes that they are unfounded. Much of the experimental data that have been used to reject the model are actually consistent with it.

A general equilibrium model of ecosystem services in a river basin

Science.gov (United States)

Travis Warziniack

2014-01-01

This study builds a general equilibrium model of ecosystem services, with sectors of the economy competing for use of the environment. The model recognizes that production processes in the real world require a combination of natural and human inputs, and understanding the value of these inputs and their competing uses is necessary when considering policies of resource...

K. Schwarzschild's problem in radiation transfer theory

International Nuclear Information System (INIS)

Rutily, B.; Chevallier, L.; Pelkowski, J.

2006-01-01

We solve exactly the problem of a finite slab receiving an isotropic radiation on one side and no radiation on the other side. This problem-to be more precise the calculation of the source function within the slab-was first formulated by K. Schwarzschild in 1914. We first solve it for unspecified albedos and optical thicknesses of the atmosphere, in particular for an albedo very close to 1 and a very large optical thickness in view of some astrophysical applications. Then we focus on the conservative case (albedo=1), which is of great interest for the modeling of grey atmospheres in radiative equilibrium. Ten-figure tables of the conservative source function are given. From the analytical expression of this function, we deduce (1) a simple relation between the effective temperature of a grey atmosphere in radiative equilibrium and the temperature of the black body that irradiates it (2) the temperature at any point of the atmosphere when it is in local thermodynamical equilibrium. This temperature distribution is the counterpart, for a finite slab, of Hopf's distribution in a half-space. Its graphical representation is given for various optical thicknesses of the atmosphere

On a unified presentation of the non-equilibrium two-phase flow models

International Nuclear Information System (INIS)

Boure, J.A.

1975-01-01

If the various existing one-dimensional two-phase flow models are consistent, they must appear as particular cases of more general models. It is shown that such is the case if, and only if, the mathematical form of the laws of the transfers between the phases is sufficiently general. These transfer laws control the non-equilibrium phenomena. A convenient general model is a particular form of the two-fluid model. This particular form involves three equations and three dependent variables characterizing the mixture, and three equations and three dependent variables characterizing the differences between the phases (slip, thermal non-equilibriums). The mathematical expressions of the transfert terms present in the above equations involve first-order partial derivatives of the dependent variables. The other existing models may be deduced from the general model by making assumptions on the fluid evolution. Several examples are given. The resulting unified presentation of the existing model enables a comparison of the implicit assumptions made in these models on the transfer laws. It is therefore, a useful tool for the appraisal of the existing models and for the development of new models [fr

Fluctuation-dissipation relation and stationary distribution of an exactly solvable many-particle model for active biomatter far from equilibrium.

Science.gov (United States)

Netz, Roland R

2018-05-14

An exactly solvable, Hamiltonian-based model of many massive particles that are coupled by harmonic potentials and driven by stochastic non-equilibrium forces is introduced. The stationary distribution and the fluctuation-dissipation relation are derived in closed form for the general non-equilibrium case. Deviations from equilibrium are on one hand characterized by the difference of the obtained stationary distribution from the Boltzmann distribution; this is possible because the model derives from a particle Hamiltonian. On the other hand, the difference between the obtained non-equilibrium fluctuation-dissipation relation and the standard equilibrium fluctuation-dissipation theorem allows us to quantify non-equilibrium in an alternative fashion. Both indicators of non-equilibrium behavior, i.e., deviations from the Boltzmann distribution and deviations from the equilibrium fluctuation-dissipation theorem, can be expressed in terms of a single non-equilibrium parameter α that involves the ratio of friction coefficients and random force strengths. The concept of a non-equilibrium effective temperature, which can be defined by the relation between fluctuations and the dissipation, is by comparison with the exactly derived stationary distribution shown not to hold, even if the effective temperature is made frequency dependent. The analysis is not confined to close-to-equilibrium situations but rather is exact and thus holds for arbitrarily large deviations from equilibrium. Also, the suggested harmonic model can be obtained from non-linear mechanical network systems by an expansion in terms of suitably chosen deviatory coordinates; the obtained results should thus be quite general. This is demonstrated by comparison of the derived non-equilibrium fluctuation dissipation relation with experimental data on actin networks that are driven out of equilibrium by energy-consuming protein motors. The comparison is excellent and allows us to extract the non-equilibrium

Fluctuation-dissipation relation and stationary distribution of an exactly solvable many-particle model for active biomatter far from equilibrium

Science.gov (United States)

Netz, Roland R.

2018-05-01

An exactly solvable, Hamiltonian-based model of many massive particles that are coupled by harmonic potentials and driven by stochastic non-equilibrium forces is introduced. The stationary distribution and the fluctuation-dissipation relation are derived in closed form for the general non-equilibrium case. Deviations from equilibrium are on one hand characterized by the difference of the obtained stationary distribution from the Boltzmann distribution; this is possible because the model derives from a particle Hamiltonian. On the other hand, the difference between the obtained non-equilibrium fluctuation-dissipation relation and the standard equilibrium fluctuation-dissipation theorem allows us to quantify non-equilibrium in an alternative fashion. Both indicators of non-equilibrium behavior, i.e., deviations from the Boltzmann distribution and deviations from the equilibrium fluctuation-dissipation theorem, can be expressed in terms of a single non-equilibrium parameter α that involves the ratio of friction coefficients and random force strengths. The concept of a non-equilibrium effective temperature, which can be defined by the relation between fluctuations and the dissipation, is by comparison with the exactly derived stationary distribution shown not to hold, even if the effective temperature is made frequency dependent. The analysis is not confined to close-to-equilibrium situations but rather is exact and thus holds for arbitrarily large deviations from equilibrium. Also, the suggested harmonic model can be obtained from non-linear mechanical network systems by an expansion in terms of suitably chosen deviatory coordinates; the obtained results should thus be quite general. This is demonstrated by comparison of the derived non-equilibrium fluctuation dissipation relation with experimental data on actin networks that are driven out of equilibrium by energy-consuming protein motors. The comparison is excellent and allows us to extract the non-equilibrium

Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices

Science.gov (United States)

Garcia Bertrand, Raquel

In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary

HELIOS: An Open-source, GPU-accelerated Radiative Transfer Code for Self-consistent Exoplanetary Atmospheres

Science.gov (United States)

Malik, Matej; Grosheintz, Luc; Mendonça, João M.; Grimm, Simon L.; Lavie, Baptiste; Kitzmann, Daniel; Tsai, Shang-Min; Burrows, Adam; Kreidberg, Laura; Bedell, Megan; Bean, Jacob L.; Stevenson, Kevin B.; Heng, Kevin

2017-02-01

We present the open-source radiative transfer code named HELIOS, which is constructed for studying exoplanetary atmospheres. In its initial version, the model atmospheres of HELIOS are one-dimensional and plane-parallel, and the equation of radiative transfer is solved in the two-stream approximation with nonisotropic scattering. A small set of the main infrared absorbers is employed, computed with the opacity calculator HELIOS-K and combined using a correlated-k approximation. The molecular abundances originate from validated analytical formulae for equilibrium chemistry. We compare HELIOS with the work of Miller-Ricci & Fortney using a model of GJ 1214b, and perform several tests, where we find: model atmospheres with single-temperature layers struggle to converge to radiative equilibrium; k-distribution tables constructed with ≳ 0.01 cm-1 resolution in the opacity function (≲ {10}3 points per wavenumber bin) may result in errors ≳ 1%-10% in the synthetic spectra; and a diffusivity factor of 2 approximates well the exact radiative transfer solution in the limit of pure absorption. We construct “null-hypothesis” models (chemical equilibrium, radiative equilibrium, and solar elemental abundances) for six hot Jupiters. We find that the dayside emission spectra of HD 189733b and WASP-43b are consistent with the null hypothesis, while the latter consistently underpredicts the observed fluxes of WASP-8b, WASP-12b, WASP-14b, and WASP-33b. We demonstrate that our results are somewhat insensitive to the choice of stellar models (blackbody, Kurucz, or PHOENIX) and metallicity, but are strongly affected by higher carbon-to-oxygen ratios. The code is publicly available as part of the Exoclimes Simulation Platform (exoclime.net).

An Equilibrium Chance-Constrained Multiobjective Programming Model with Birandom Parameters and Its Application to Inventory Problem

Directory of Open Access Journals (Sweden)

Zhimiao Tao

2013-01-01

Full Text Available An equilibrium chance-constrained multiobjective programming model with birandom parameters is proposed. A type of linear model is converted into its crisp equivalent model. Then a birandom simulation technique is developed to tackle the general birandom objective functions and birandom constraints. By embedding the birandom simulation technique, a modified genetic algorithm is designed to solve the equilibrium chance-constrained multiobjective programming model. We apply the proposed model and algorithm to a real-world inventory problem and show the effectiveness of the model and the solution method.

Equilibrium properties of blackbody radiation with an ultraviolet energy cut-off

Science.gov (United States)

Mishra, Dheeraj Kumar; Chandra, Nitin; Vaibhav, Vinay

2017-10-01

We study various equilibrium thermodynamic properties of blackbody radiation (i.e. a photon gas) with an ultraviolet energy cut-off. We find that the energy density, specific heat etc. follow usual acoustic phonon dynamics as have been well studied by Debye. Other thermodynamic quantities like pressure, entropy etc. have also been calculated. The usual Stefan-Boltzmann law gets modified. We observe that the values of the thermodynamic quantities with the energy cut-off is lower than the corresponding values in the theory without any such scale. The phase-space measure is also expected to get modified for an exotic spacetime appearing at Planck scale, which in turn leads to the modification of Planck energy density distribution and the Wien's displacement law. We found that the non-perturbative nature of the thermodynamic quantities in the SR limit (for both unmodified and modified cases), due to nonanalyticity of the leading term, is a general feature of the theory accompanied with an ultraviolet energy cut-off. We have also discussed the possible modification in the case of Big Bang and the Stellar objects and have suggested a table top experiment for verification in effective low energy case.

Modeling and Control of an Ornithopter for Non-Equilibrium Maneuvers

OpenAIRE

Rose, Cameron Jarrel

2015-01-01

Flapping-winged flight is very complex, and it is difficult to efficiently model the unsteady airflow and nonlinear dynamics for online control. While steady state flight is well understood, transitions between flight regimes are not readily modeled or controlled. Maneuverability in non-equilibrium flight, which birds and insects readily exhibit in nature, is necessary to operate in the types of cluttered environments that small-scale flapping-winged robots are best suited for. The advantages...

A framework for modelling gene regulation which accommodates non-equilibrium mechanisms.

Science.gov (United States)

Ahsendorf, Tobias; Wong, Felix; Eils, Roland; Gunawardena, Jeremy

2014-12-05

Gene regulation has, for the most part, been quantitatively analysed by assuming that regulatory mechanisms operate at thermodynamic equilibrium. This formalism was originally developed to analyse the binding and unbinding of transcription factors from naked DNA in eubacteria. Although widely used, it has made it difficult to understand the role of energy-dissipating, epigenetic mechanisms, such as DNA methylation, nucleosome remodelling and post-translational modification of histones and co-regulators, which act together with transcription factors to regulate gene expression in eukaryotes. Here, we introduce a graph-based framework that can accommodate non-equilibrium mechanisms. A gene-regulatory system is described as a graph, which specifies the DNA microstates (vertices), the transitions between microstates (edges) and the transition rates (edge labels). The graph yields a stochastic master equation for how microstate probabilities change over time. We show that this framework has broad scope by providing new insights into three very different ad hoc models, of steroid-hormone responsive genes, of inherently bounded chromatin domains and of the yeast PHO5 gene. We find, moreover, surprising complexity in the regulation of PHO5, which has not yet been experimentally explored, and we show that this complexity is an inherent feature of being away from equilibrium. At equilibrium, microstate probabilities do not depend on how a microstate is reached but, away from equilibrium, each path to a microstate can contribute to its steady-state probability. Systems that are far from equilibrium thereby become dependent on history and the resulting complexity is a fundamental challenge. To begin addressing this, we introduce a graph-based concept of independence, which can be applied to sub-systems that are far from equilibrium, and prove that history-dependent complexity can be circumvented when sub-systems operate independently. As epigenomic data become increasingly

A Biomechanical Model of Single-joint Arm Movement Control Based on the Equilibrium Point Hypothesis

OpenAIRE

Masataka, SUZUKI; Yoshihiko, YAMAZAKI; Yumiko, TANIGUCHI; Department of Psychology, Kinjo Gakuin University; Department of Health and Physical Education, Nagoya Institute of Technology; College of Human Life and Environment, Kinjo Gakuin University

2003-01-01

SUZUKI,M., YAMAZAKI,Y. and TANIGUCHI,Y., A Biomechanical Model of Single-joint Arm Movement Control Based on the Equilibrium Point Hypothesis. Adv. Exerc. Sports Physiol., Vol.9, No.1 pp.7-25, 2003. According to the equilibrium point hypothesis of motor control, control action of muscles is not explicitly computed, but rather arises as a consequence of interaction among moving equilibrium point, reflex feedback and muscle mechanical properties. This approach is attractive as it obviates the n...

The Matrix model, a driven state variables approach to non-equilibrium thermodynamics

NARCIS (Netherlands)

Jongschaap, R.J.J.

2001-01-01

One of the new approaches in non-equilibrium thermodynamics is the so-called matrix model of Jongschaap. In this paper some features of this model are discussed. We indicate the differences with the more common approach based upon internal variables and the more sophisticated Hamiltonian and GENERIC

Non-equilibrium thermodynamics of radiation-induced processes in solids

International Nuclear Information System (INIS)

Yurov, V.M.; Eshchanov, A.N.; Kuketaev, A.T.; Sidorenya, Yu.S.

2005-01-01

In the paper an item about a defect system response in solids on external action (temperature, pressure, light, etc.) from the point of view of non-equilibrium statistical thermodynamics is considered

On Out of Plane Equilibrium Points in Photo-Gravitational Restricted ...

Indian Academy of Sciences (India)

Abstract. We have investigated the out of plane equilibrium points of a passive micron size particle and their stability in the field of radiating binary stellar systems Krüger-60, RW-Monocerotis within the framework of photo-gravitational circular restricted three-body problem. We find that the out of plane equilibrium points (Li,i ...

Restructured electric power systems analysis of electricity markets with equilibrium models

CERN Document Server

2010-01-01

Electricity market deregulation is driving the power energy production from a monopolistic structure into a competitive market environment. The development of electricity markets has necessitated the need to analyze market behavior and power. Restructured Electric Power Systems reviews the latest developments in electricity market equilibrium models and discusses the application of such models in the practical analysis and assessment of electricity markets.

Non-Equilibrium Thermodynamic Analysis of Double Diffusive, Nanofluid Forced Convection in Catalytic Microreactors with Radiation Effects

Directory of Open Access Journals (Sweden)

Lilian Govone

2017-12-01

Full Text Available This paper presents a theoretical investigation of the second law performance of double diffusive forced convection in microreactors with the inclusion of nanofluid and radiation effects. The investigated microreactors consist of a single microchannel, fully filled by a porous medium. The transport of heat and mass are analysed by including the thick walls and a first order, catalytic chemical reaction on the internal surfaces of the microchannel. Two sets of thermal boundary conditions are considered on the external surfaces of the microchannel; (1 constant temperature and (2 constant heat flux boundary condition on the lower wall and convective boundary condition on the upper wall. The local thermal non-equilibrium approach is taken to thermally analyse the porous section of the system. The mass dispersion equation is coupled with the transport of heat in the nanofluid flow through consideration of Soret effect. The problem is analytically solved and illustrations of the temperature fields, Nusselt number, total entropy generation rate and performance evaluation criterion (PEC are provided. It is shown that the radiation effect tends to modify the thermal behaviour within the porous section of the system. The radiation parameter also reduces the overall temperature of the system. It is further demonstrated that, expectedly, the nanoparticles reduce the temperature of the system and increase the Nusselt number. The total entropy generation rate and consequently PEC shows a strong relation with radiation parameter and volumetric concentration of nanoparticles.

Regional disaster impact analysis: comparing Input-Output and Computable General Equilibrium models

NARCIS (Netherlands)

Koks, E.E.; Carrera, L.; Jonkeren, O.; Aerts, J.C.J.H.; Husby, T.G.; Thissen, M.; Standardi, G.; Mysiak, J.

2016-01-01

A variety of models have been applied to assess the economic losses of disasters, of which the most common ones are input-output (IO) and computable general equilibrium (CGE) models. In addition, an increasing number of scholars have developed hybrid approaches: one that combines both or either of

Modelling of diffusion from equilibrium diffraction fluctuations in ordered phases

International Nuclear Information System (INIS)

Arapaki, E.; Argyrakis, P.; Tringides, M.C.

2008-01-01

Measurements of the collective diffusion coefficient D c at equilibrium are difficult because they are based on monitoring low amplitude concentration fluctuations generated spontaneously, that are difficult to measure experimentally. A new experimental method has been recently used to measure time-dependent correlation functions from the diffraction intensity fluctuations and was applied to measure thermal step fluctuations. The method has not been applied yet to measure superstructure intensity fluctuations in surface overlayers and to extract D c . With Monte Carlo simulations we study equilibrium fluctuations in Ising lattice gas models with nearest neighbor attractive and repulsive interactions. The extracted diffusion coefficients are compared to the ones obtained from equilibrium methods. The new results are in good agreement with the results from the other methods, i.e., D c decreases monotonically with coverage Θ for attractive interactions and increases monotonically with Θ for repulsive interactions. Even the absolute value of D c agrees well with the results obtained with the probe area method. These results confirm that this diffraction based method is a novel, reliable way to measure D c especially within the ordered region of the phase diagram when the superstructure spot has large intensity

Electric Circuit Model Analogy for Equilibrium Lattice Relaxation in Semiconductor Heterostructures

Science.gov (United States)

Kujofsa, Tedi; Ayers, John E.

2018-01-01

The design and analysis of semiconductor strained-layer device structures require an understanding of the equilibrium profiles of strain and dislocations associated with mismatched epitaxy. Although it has been shown that the equilibrium configuration for a general semiconductor strained-layer structure may be found numerically by energy minimization using an appropriate partitioning of the structure into sublayers, such an approach is computationally intense and non-intuitive. We have therefore developed a simple electric circuit model approach for the equilibrium analysis of these structures. In it, each sublayer of an epitaxial stack may be represented by an analogous circuit configuration involving an independent current source, a resistor, an independent voltage source, and an ideal diode. A multilayered structure may be built up by the connection of the appropriate number of these building blocks, and the node voltages in the analogous electric circuit correspond to the equilibrium strains in the original epitaxial structure. This enables analysis using widely accessible circuit simulators, and an intuitive understanding of electric circuits can easily be extended to the relaxation of strained-layer structures. Furthermore, the electrical circuit model may be extended to continuously-graded epitaxial layers by considering the limit as the individual sublayer thicknesses are diminished to zero. In this paper, we describe the mathematical foundation of the electrical circuit model, demonstrate its application to several representative structures involving In x Ga1- x As strained layers on GaAs (001) substrates, and develop its extension to continuously-graded layers. This extension allows the development of analytical expressions for the strain, misfit dislocation density, critical layer thickness and widths of misfit dislocation free zones for a continuously-graded layer having an arbitrary compositional profile. It is similar to the transition from circuit

Non-equilibrium synergistic effects in atmospheric pressure plasmas.

Science.gov (United States)

Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

2018-03-19

Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

Oscillation Susceptibility Analysis of the ADMIRE Aircraft along the Path of Longitudinal Flight Equilibriums in Two Different Mathematical Models

Directory of Open Access Journals (Sweden)

Achim Ionita

2009-01-01

Full Text Available The oscillation susceptibility of the ADMIRE aircraft along the path of longitudinal flight equilibriums is analyzed numerically in the general and in a simplified flight model. More precisely, the longitudinal flight equilibriums, the stability of these equilibriums, and the existence of bifurcations along the path of these equilibriums are researched in both models. Maneuvers and appropriate piloting tasks for the touch-down moment are simulated in both models. The computed results obtained in the models are compared in order to see if the movement concerning the landing phase computed in the simplified model is similar to that computed in the general model. The similarity we find is not a proof of the structural stability of the simplified system, what as far we know never been made, but can increase the confidence that the simplified system correctly describes the real phenomenon.

Mechanism of alkalinity lowering and chemical equilibrium model of high fly ash silica fume cement

International Nuclear Information System (INIS)

Hoshino, Seiichi; Honda, Akira; Negishi, Kumi

2014-01-01

The mechanism of alkalinity lowering of a High Fly ash Silica fume Cement (HFSC) under liquid/solid ratio conditions where the pH is largely controlled by the soluble alkali components (Region I) has been studied. This mechanism was incorporated in the chemical equilibrium model of HFSC. As a result, it is suggested that the dissolution and precipitation behavior of SO 4 2- partially contributes to alkalinity lowering of HFSC in Region I. A chemical equilibrium model of HFSC incorporating alkali (Na, K) adsorption, which was presumed as another contributing factor of the alkalinity lowering effect, was also developed, and an HFSC immersion experiment was analyzed using the model. The results of the developed model showed good agreement with the experiment results. From the above results, it was concluded that the alkalinity lowering of HFSC in Region I was attributed to both the dissolution and precipitation behavior of SO 4 2- and alkali adsorption, in addition to the absence of Ca(OH) 2 . A chemical equilibrium model of HFSC incorporating alkali and SO 4 2- adsorption was also proposed. (author)

An idealized radiative transfer scheme for use in a mechanistic general circulation model from the surface up to the mesopause region

International Nuclear Information System (INIS)

Knoepfel, Rahel; Becker, Erich

2011-01-01

A new and numerically efficient method to compute radiative flux densities and heating rates in a general atmospheric circulation model is presented. Our method accommodates the fundamental differences between the troposphere and middle atmosphere in the long-wave regime within a single parameterization that extends continuously from the surface up to the mesopause region and takes the deviations from the gray limit and from the local thermodynamic equilibrium into account. For this purpose, frequency-averaged Eddington-type transfer equations are derived for four broad absorber bands. The frequency variation inside each band is parameterized by application of the Elsasser band model extended by a slowly varying envelope function. This yields additional transfer equations for the perturbation amplitudes that are solved numerically along with the mean transfer equations. Deviations from local thermodynamic equilibrium are included in terms of isotropic scattering, calculating the single scattering albedo from the two-level model for each band. Solar radiative flux densities are computed for four energetically defined bands using the simple Beer-Bougert-Lambert relation for absorption within the atmosphere. The new scheme is implemented in a mechanistic general circulation model from the surface up to the mesopause region. A test simulation with prescribed concentrations of the radiatively active constituents shows quite reasonable results. In particular, since we take the full surface energy budget into account by means of a swamp ocean, and since the internal dynamics and turbulent diffusion of the model are formulated in accordance with the conservation laws, an equilibrated climatological radiation budget is obtained both at the top of the atmosphere and at the surface.

Exploring the Use of Multiple Analogical Models when Teaching and Learning Chemical Equilibrium

Science.gov (United States)

Harrison, Allan G.; De Jong, Onno

2005-01-01

This study describes the multiple analogical models used to introduce and teach Grade 12 chemical equilibrium. We examine the teacher's reasons for using models, explain each model's development during the lessons, and analyze the understandings students derived from the models. A case study approach was used and the data were drawn from the…

Thermal equilibrium of goats.

Science.gov (United States)

Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

2016-05-01

The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Tracer disposition kinetics in the determination of local cerebral blood flow by a venous equilibrium model, tube model, and distributed model

International Nuclear Information System (INIS)

Sawada, Y.; Sugiyama, Y.; Iga, T.; Hanano, M.

1987-01-01

Tracer distribution kinetics in the determination of local cerebral blood flow (LCBF) were examined by using three models, i.e., venous equilibrium, tube, and distributed models. The technique most commonly used for measuring LCBF is the tissue uptake method, which was first developed and applied by Kety. The measurement of LCBF with the 14 C-iodoantipyrine (IAP) method is calculated by using an equation derived by Kety based on the Fick's principle and a two-compartment model of blood-tissue exchange and tissue concentration at a single data point. The procedure, in which the tissue is to be in equilibrium with venous blood, will be referred to as the tissue equilibration model. In this article, effects of the concentration gradient of tracer along the length of the capillary (tube model) and the transverse heterogeneity in the capillary transit time (distributed model) on the determination of LCBF were theoretically analyzed for the tissue sampling method. Similarities and differences among these models are explored. The rank order of the LCBF calculated by using arterial blood concentration time courses and the tissue concentration of tracer based on each model were tube model (model II) less than distributed model (model III) less than venous equilibrium model (model I). Data on 14 C-IAP kinetics reported by Ohno et al. were employed. The LCBFs calculated based on model I were 45-260% larger than those in models II or III. To discriminate among three models, we propose to examine the effect of altering the venous infusion time of tracer on the apparent tissue-to-blood concentration ratio (lambda app). A range of the ratio of the predicted lambda app in models II or III to that in model I was from 0.6 to 1.3

The negotiated equilibrium model of spinal cord function.

Science.gov (United States)

Wolpaw, Jonathan R

2018-04-16

The belief that the spinal cord is hardwired is no longer tenable. Like the rest of the CNS, the spinal cord changes during growth and aging, when new motor behaviours are acquired, and in response to trauma and disease. This paper describes a new model of spinal cord function that reconciles its recently appreciated plasticity with its long recognized reliability as the final common pathway for behaviour. According to this model, the substrate of each motor behaviour comprises brain and spinal plasticity: the plasticity in the brain induces and maintains the plasticity in the spinal cord. Each time a behaviour occurs, the spinal cord provides the brain with performance information that guides changes in the substrate of the behaviour. All the behaviours in the repertoire undergo this process concurrently; each repeatedly induces plasticity to preserve its key features despite the plasticity induced by other behaviours. The aggregate process is a negotiation among the behaviours: they negotiate the properties of the spinal neurons and synapses that they all use. The ongoing negotiation maintains the spinal cord in an equilibrium - a negotiated equilibrium - that serves all the behaviours. This new model of spinal cord function is supported by laboratory and clinical data, makes predictions borne out by experiment, and underlies a new approach to restoring function to people with neuromuscular disorders. Further studies are needed to test its generality, to determine whether it may apply to other CNS areas such as the cerebral cortex, and to develop its therapeutic implications. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Cap-and-Trade Modeling and Analysis: Congested Electricity Market Equilibrium

Science.gov (United States)

Limpaitoon, Tanachai

This dissertation presents an equilibrium framework for analyzing the impact of cap-and-trade regulation on transmission-constrained electricity market. The cap-and-trade regulation of greenhouse gas emissions has gained momentum in the past decade. The impact of the regulation and its efficacy in the electric power industry depend on interactions of demand elasticity, transmission network, market structure, and strategic behavior of firms. I develop an equilibrium model of an oligopoly electricity market in conjunction with a market for tradable emissions permits to study the implications of such interactions. My goal is to identify inefficiencies that may arise from policy design elements and to avoid any unintended adverse consequences on the electric power sector. I demonstrate this modeling framework with three case studies examining the impact of carbon cap-and-trade regulation. In the first case study, I study equilibrium results under various scenarios of resource ownership and emission targets using a 24-bus IEEE electric transmission system. The second and third case studies apply the equilibrium model to a realistic electricity market, Western Electricity Coordinating Council (WECC) 225-bus system with a detailed representation of the California market. In the first and second case studies, I examine oligopoly in electricity with perfect competition in the permit market. I find that under a stringent emission cap and a high degree of concentration of non-polluting firms, the electricity market is subject to potential abuses of market power. Also, market power can occur in the procurement of non-polluting energy through the permit market when non-polluting resources are geographically concentrated in a transmission-constrained market. In the third case study, I relax the competitive market structure assumption of the permit market by allowing oligopolistic competition in the market through a conjectural variation approach. A short-term equilibrium

Equilibrium Propagation: Bridging the Gap between Energy-Based Models and Backpropagation

Directory of Open Access Journals (Sweden)

Benjamin Scellier

2017-05-01

Full Text Available We introduce Equilibrium Propagation, a learning framework for energy-based models. It involves only one kind of neural computation, performed in both the first phase (when the prediction is made and the second phase of training (after the target or prediction error is revealed. Although this algorithm computes the gradient of an objective function just like Backpropagation, it does not need a special computation or circuit for the second phase, where errors are implicitly propagated. Equilibrium Propagation shares similarities with Contrastive Hebbian Learning and Contrastive Divergence while solving the theoretical issues of both algorithms: our algorithm computes the gradient of a well-defined objective function. Because the objective function is defined in terms of local perturbations, the second phase of Equilibrium Propagation corresponds to only nudging the prediction (fixed point or stationary distribution toward a configuration that reduces prediction error. In the case of a recurrent multi-layer supervised network, the output units are slightly nudged toward their target in the second phase, and the perturbation introduced at the output layer propagates backward in the hidden layers. We show that the signal “back-propagated” during this second phase corresponds to the propagation of error derivatives and encodes the gradient of the objective function, when the synaptic update corresponds to a standard form of spike-timing dependent plasticity. This work makes it more plausible that a mechanism similar to Backpropagation could be implemented by brains, since leaky integrator neural computation performs both inference and error back-propagation in our model. The only local difference between the two phases is whether synaptic changes are allowed or not. We also show experimentally that multi-layer recurrently connected networks with 1, 2, and 3 hidden layers can be trained by Equilibrium Propagation on the permutation-invariant MNIST

Pharmaceutical industry and trade liberalization using computable general equilibrium model.

Science.gov (United States)

Barouni, M; Ghaderi, H; Banouei, Aa

2012-01-01

Computable general equilibrium models are known as a powerful instrument in economic analyses and widely have been used in order to evaluate trade liberalization effects. The purpose of this study was to provide the impacts of trade openness on pharmaceutical industry using CGE model. Using a computable general equilibrium model in this study, the effects of decrease in tariffs as a symbol of trade liberalization on key variables of Iranian pharmaceutical products were studied. Simulation was performed via two scenarios in this study. The first scenario was the effect of decrease in tariffs of pharmaceutical products as 10, 30, 50, and 100 on key drug variables, and the second was the effect of decrease in other sectors except pharmaceutical products on vital and economic variables of pharmaceutical products. The required data were obtained and the model parameters were calibrated according to the social accounting matrix of Iran in 2006. The results associated with simulation demonstrated that the first scenario has increased import, export, drug supply to markets and household consumption, while import, export, supply of product to market, and household consumption of pharmaceutical products would averagely decrease in the second scenario. Ultimately, society welfare would improve in all scenarios. We presents and synthesizes the CGE model which could be used to analyze trade liberalization policy issue in developing countries (like Iran), and thus provides information that policymakers can use to improve the pharmacy economics.

Monte Carlo modeling of Lead-Cooled Fast Reactor in adiabatic equilibrium state

Energy Technology Data Exchange (ETDEWEB)

Stanisz, Przemysław, E-mail: pstanisz@agh.edu.pl; Oettingen, Mikołaj, E-mail: moettin@agh.edu.pl; Cetnar, Jerzy, E-mail: cetnar@mail.ftj.agh.edu.pl

2016-05-15

Graphical abstract: - Highlights: • We present the Monte Carlo modeling of the LFR in the adiabatic equilibrium state. • We assess the adiabatic equilibrium fuel composition using the MCB code. • We define the self-adjusting process of breeding gain by the control rod operation. • The designed LFR can work in the adiabatic cycle with zero fuel breeding. - Abstract: Nuclear power would appear to be the only energy source able to satisfy the global energy demand while also achieving a significant reduction of greenhouse gas emissions. Moreover, it can provide a stable and secure source of electricity, and plays an important role in many European countries. However, nuclear power generation from its birth has been doomed by the legacy of radioactive nuclear waste. In addition, the looming decrease in the available resources of fissile U235 may influence the future sustainability of nuclear energy. The integrated solution to both problems is not trivial, and postulates the introduction of a closed-fuel cycle strategy based on breeder reactors. The perfect choice of a novel reactor system fulfilling both requirements is the Lead-Cooled Fast Reactor operating in the adiabatic equilibrium state. In such a state, the reactor converts depleted or natural uranium into plutonium while consuming any self-generated minor actinides and transferring only fission products as waste. We present the preliminary design of a Lead-Cooled Fast Reactor operating in the adiabatic equilibrium state with the Monte Carlo Continuous Energy Burnup Code – MCB. As a reference reactor model we apply the core design developed initially under the framework of the European Lead-cooled SYstem (ELSY) project and refined in the follow-up Lead-cooled European Advanced DEmonstration Reactor (LEADER) project. The major objective of the study is to show to what extent the constraints of the adiabatic cycle are maintained and to indicate the phase space for further improvements. The analysis

Solutions to the Cosmic Initial Entropy Problem without Equilibrium Initial Conditions

Directory of Open Access Journals (Sweden)

Vihan M. Patel

2017-08-01

Full Text Available The entropy of the observable universe is increasing. Thus, at earlier times the entropy was lower. However, the cosmic microwave background radiation reveals an apparently high entropy universe close to thermal and chemical equilibrium. A two-part solution to this cosmic initial entropy problem is proposed. Following Penrose, we argue that the evenly distributed matter of the early universe is equivalent to low gravitational entropy. There are two competing explanations for how this initial low gravitational entropy comes about. (1 Inflation and baryogenesis produce a virtually homogeneous distribution of matter with a low gravitational entropy. (2 Dissatisfied with explaining a low gravitational entropy as the product of a ‘special’ scalar field, some theorists argue (following Boltzmann for a “more natural” initial condition in which the entire universe is in an initial equilibrium state of maximum entropy. In this equilibrium model, our observable universe is an unusual low entropy fluctuation embedded in a high entropy universe. The anthropic principle and the fluctuation theorem suggest that this low entropy region should be as small as possible and have as large an entropy as possible, consistent with our existence. However, our low entropy universe is much larger than needed to produce observers, and we see no evidence for an embedding in a higher entropy background. The initial conditions of inflationary models are as natural as the equilibrium background favored by many theorists.

Ageing in the trap model as a relaxation further away from equilibrium

International Nuclear Information System (INIS)

Bertin, Eric

2013-01-01

The ageing regime of the trap model, observed for a temperature T below the glass transition temperature T g , is a prototypical example of non-stationary out-of-equilibrium state. We characterize this state by evaluating its ‘distance to equilibrium’, defined as the Shannon entropy difference ΔS (in absolute value) between the non-equilibrium state and the equilibrium state with the same energy. We consider the time evolution of ΔS and show that, rather unexpectedly, ΔS(t) continuously increases in the ageing regime, if the number of traps is infinite, meaning that the ‘distance to equilibrium’ increases instead of decreasing in the relaxation process. For a finite number N of traps, ΔS(t) exhibits a maximum value before eventually converging to zero when equilibrium is reached. The time t* at which the maximum is reached however scales in a non-standard way as t * ∼N T g /2T , while the equilibration time scales as τ eq ∼N T g /T . In addition, the curves ΔS(t) for different N are found to rescale as ln t/ln t*, instead of the more familiar scaling t/t*. (paper)

International nuclear model and code comparison on pre-equilibrium effects

International Nuclear Information System (INIS)

Gruppelaar, H.; van der Kamp, H.A.J.; Nagel, P.

1983-01-01

This paper gives the specification of an intercomparison of statistical nuclear models and codes with emphasis on pre-equilibrium effects. It is partly based upon the conclusions of a meeting of an ad-hoc working group on this subject. The parameters studied are: masses, Q values, level scheme data, optical model parameters, X-ray competition parameters, total level-density specifications, for 86 Rb, 89 Sr, 90 Y, 92 Y, 92 Zr, 93 Zr, 89 Y, 91 Nb, 92 Nb and 93 Nb

Isotope effects in the equilibrium and non-equilibrium vaporization of tritiated water and ice

International Nuclear Information System (INIS)

Baumgaertner, F.; Kim, M.-A.

1990-01-01

The vaporization isotope effect of the HTO/H 2 O system has been measured at various temperatures and pressures under equilibrium as well as non-equilibrium conditions. The isotope effect values measured in equilibrium sublimation or distillation are in good agreement with the theoretical values based on the harmonic oscillator model. In non-equilibrium vaporization at low temperatures ( 0 C), the isotope effect decreases rapidly with decreasing system pressure and becomes negligible when the system pressure is lowered more than one tenth of the equilibrium vapor pressure. At higher temperatures, the isotope effect decreases very slowly with decreasing system pressure. Discussion is extended for the application of the present results to the study of biological enrichment of tritium. (author)

Burnup effect on nuclear fuel cycle cost using an equilibrium model

International Nuclear Information System (INIS)

Youn, S. R.; Kim, S. K.; Ko, W. I.

2014-01-01

The degree of fuel burnup is an important technical parameter to the nuclear fuel cycle, being sensitive and progressive to reduce the total volume of process flow materials and eventually cut the nuclear fuel cycle costs. This paper performed the sensitivity analysis of the total nuclear fuel cycle costs to changes in the technical parameter by varying the degree of burnups in each of the three nuclear fuel cycles using an equilibrium model. Important as burnup does, burnup effect was used among the cost drivers of fuel cycle, as the technical parameter. The fuel cycle options analyzed in this paper are three different fuel cycle options as follows: PWR-Once Through Cycle(PWR-OT), PWR-MOX Recycle, Pyro-SFR Recycle. These fuel cycles are most likely to be adopted in the foreseeable future. As a result of the sensitivity analysis on burnup effect of each three different nuclear fuel cycle costs, PWR-MOX turned out to be the most influenced by burnup changes. Next to PWR-MOX cycle, in the order of Pyro-SFR and PWR-OT cycle turned out to be influenced by the degree of burnup. In conclusion, the degree of burnup in the three nuclear fuel cycles can act as the controlling driver of nuclear fuel cycle costs due to a reduction in the volume of spent fuel leading better availability and capacity factors. However, the equilibrium model used in this paper has a limit that time-dependent material flow and cost calculation is impossible. Hence, comparative analysis of the results calculated by dynamic model hereafter and the calculation results using an equilibrium model should be proceed. Moving forward to the foreseeable future with increasing burnups, further studies regarding alternative material of high corrosion resistance fuel cladding for the overall

KEMOD: A mixed chemical kinetic and equilibrium model of aqueous and solid phase geochemical reactions

International Nuclear Information System (INIS)

Yeh, G.T.; Iskra, G.A.

1995-01-01

This report presents the development of a mixed chemical Kinetic and Equilibrium MODel in which every chemical species can be treated either as a equilibrium-controlled or as a kinetically controlled reaction. The reaction processes include aqueous complexation, adsorption/desorption, ion exchange, precipitation/dissolution, oxidation/reduction, and acid/base reactions. Further development and modification of KEMOD can be made in: (1) inclusion of species switching solution algorithms, (2) incorporation of the effect of temperature and pressure on equilibrium and rate constants, and (3) extension to high ionic strength

Functional and physical molecular size of the chicken hepatic lectin determined by radiation inactivation and sedimentation equilibrium analysis

International Nuclear Information System (INIS)

Steer, C.J.; Osborne, J.C. Jr.; Kempner, E.S.

1990-01-01

Radiation inactivation and sedimentation equilibrium analysis were used to determine the functional and physical size of the chicken hepatic membrane receptor that binds N-acetylglucosamine-terminated glycoproteins. Purified plasma membranes from chicken liver were irradiated with high energy electrons and assayed for 125I-agalactoorosomucoid binding. Increasing the dose of ionizing radiation resulted in a monoexponential decay in binding activity due to a progressive loss of binding sites. The molecular mass of the chicken lectin, determined in situ by target analysis, was 69,000 +/- 9,000 Da. When the same irradiated membranes were solubilized in Brij 58 and assayed, the binding protein exhibited a target size of 62,000 +/- 4,000 Da; in Triton X-100, the functional size of the receptor was 85,000 +/- 10,000 Da. Sedimentation equilibrium measurements of the purified binding protein yielded a lower limit molecular weight of 79,000 +/- 7,000. However, the solubilized lectin was detected as a heterogeneous population of oligomers with molecular weights as high as 450,000. Addition of calcium or calcium plus N-acetylglucosamine decreased the higher molecular weight species, but the lower limit molecular weights remained invariant. Similar results were determined when the chicken lectin was solubilized in Brij 58, C12E9, or 3-[(3-cholamidopropyl)dimethylammonio]-1-propane-sulfonic acid (CHAPS). Results from the present study suggest that in the plasma membrane, the functional species of the chicken hepatic lectin exists as a trimer. However, in detergent solution, the purified receptor forms a heterogeneous population of irreversible oligomers that exhibit binding activity proportional to size

Combination of equilibrium models and hybrid life cycle-input–output analysis to predict the environmental impacts of energy policy scenarios

International Nuclear Information System (INIS)

Igos, Elorri; Rugani, Benedetto; Rege, Sameer; Benetto, Enrico; Drouet, Laurent; Zachary, Daniel S.

2015-01-01

Highlights: • The environmental impacts of two energy policy scenarios in Luxembourg are assessed. • Computable General Equilibrium (CGE) and Partial Equilibrium (PE) models are used. • Results from coupling of CGE and PE are integrated in hybrid Life Cycle Assessment. • Impacts due to energy related production and imports are likely to grow over time. • Carbon mitigation policies seem to not substantially decrease the impacts’ trend. - Abstract: Nowadays, many countries adopt an active agenda to mitigate the impact of greenhouse gas emissions by moving towards less polluting energy generation technologies. The environmental costs, directly or indirectly generated to achieve such a challenging objective, remain however largely underexplored. Until now, research has focused either on pure economic approaches such as Computable General Equilibrium (CGE) and partial equilibrium (PE) models, or on (physical) energy supply scenarios. These latter could be used to evaluate the environmental impacts of various energy saving or cleaner technologies via Life Cycle Assessment (LCA) methodology. These modelling efforts have, however, been pursued in isolation, without exploring the possible complementarities and synergies. In this study, we have undertaken a practical combination of these approaches into a common framework: on the one hand, by coupling a CGE with a PE model, and, on the other hand, by linking the outcomes from the coupling with a hybrid input–output−process based life cycle inventory. The methodological framework aimed at assessing the environmental consequences of two energy policy scenarios in Luxembourg between 2010 and 2025. The study highlights the potential of coupling CGE and PE models but also the related methodological difficulties (e.g. small number of available technologies in Luxembourg, intrinsic limitations of the two approaches, etc.). The assessment shows both environmental synergies and trade-offs due to the implementation of

The equilibrium response to doubling atmospheric CO2

International Nuclear Information System (INIS)

Mitchell, J.F.B.

1990-01-01

The equilibrium response of climate to increased atmospheric carbon dioxide as simulated by general circulation models is assessed. Changes that are physically plausible are summarized, along with an indication of the confidence attributable to those changes. The main areas of uncertainty are highlighted. They include: equilibrium experiments with mixed-layer oceans focusing on temperature, precipitation, and soil moisture; equilibrium studies with dynamical ocean-atmosphere models; results deduced from equilibrium CO 2 experiments; and priorities for future research to improve atmosphere models

A hierarchical analysis of terrestrial ecosystem model Biome-BGC: Equilibrium analysis and model calibration

Energy Technology Data Exchange (ETDEWEB)

Thornton, Peter E [ORNL; Wang, Weile [ORNL; Law, Beverly E. [Oregon State University; Nemani, Ramakrishna R [NASA Ames Research Center

2009-01-01

The increasing complexity of ecosystem models represents a major difficulty in tuning model parameters and analyzing simulated results. To address this problem, this study develops a hierarchical scheme that simplifies the Biome-BGC model into three functionally cascaded tiers and analyzes them sequentially. The first-tier model focuses on leaf-level ecophysiological processes; it simulates evapotranspiration and photosynthesis with prescribed leaf area index (LAI). The restriction on LAI is then lifted in the following two model tiers, which analyze how carbon and nitrogen is cycled at the whole-plant level (the second tier) and in all litter/soil pools (the third tier) to dynamically support the prescribed canopy. In particular, this study analyzes the steady state of these two model tiers by a set of equilibrium equations that are derived from Biome-BGC algorithms and are based on the principle of mass balance. Instead of spinning-up the model for thousands of climate years, these equations are able to estimate carbon/nitrogen stocks and fluxes of the target (steady-state) ecosystem directly from the results obtained by the first-tier model. The model hierarchy is examined with model experiments at four AmeriFlux sites. The results indicate that the proposed scheme can effectively calibrate Biome-BGC to simulate observed fluxes of evapotranspiration and photosynthesis; and the carbon/nitrogen stocks estimated by the equilibrium analysis approach are highly consistent with the results of model simulations. Therefore, the scheme developed in this study may serve as a practical guide to calibrate/analyze Biome-BGC; it also provides an efficient way to solve the problem of model spin-up, especially for applications over large regions. The same methodology may help analyze other similar ecosystem models as well.

Ginsburg criterion for an equilibrium superradiant model in the dynamic approach

International Nuclear Information System (INIS)

Trache, M.

1991-10-01

Some critical properties of an equilibrium superradiant model are discussed, taking into account the quantum fluctuations of the field variables. The critical region is calculated using the Ginsburg criterion, underlining the role of the atomic concentration as a control parameter of the phase transition. (author). 16 refs, 1 fig

Coenzyme B12 model studies: Equilibrium constants for the pH ...

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 114; Issue 1. Coenzyme B12 model studies: Equilibrium constants for the H-dependent axial ligation of benzyl(aquo)cobaloxime by various N- and S-donor ligands. D Sudarshan Reddy N Ravi Kumar Reddy V Sridhar S Satyanarayana. Inorganic and Analytical ...

Application of Improved Radiation Modeling to General Circulation Models

Energy Technology Data Exchange (ETDEWEB)

Michael J Iacono

2011-04-07

This research has accomplished its primary objectives of developing accurate and efficient radiation codes, validating them with measurements and higher resolution models, and providing these advancements to the global modeling community to enhance the treatment of cloud and radiative processes in weather and climate prediction models. A critical component of this research has been the development of the longwave and shortwave broadband radiative transfer code for general circulation model (GCM) applications, RRTMG, which is based on the single-column reference code, RRTM, also developed at AER. RRTMG is a rigorously tested radiation model that retains a considerable level of accuracy relative to higher resolution models and measurements despite the performance enhancements that have made it possible to apply this radiation code successfully to global dynamical models. This model includes the radiative effects of all significant atmospheric gases, and it treats the absorption and scattering from liquid and ice clouds and aerosols. RRTMG also includes a statistical technique for representing small-scale cloud variability, such as cloud fraction and the vertical overlap of clouds, which has been shown to improve cloud radiative forcing in global models. This development approach has provided a direct link from observations to the enhanced radiative transfer provided by RRTMG for application to GCMs. Recent comparison of existing climate model radiation codes with high resolution models has documented the improved radiative forcing capability provided by RRTMG, especially at the surface, relative to other GCM radiation models. Due to its high accuracy, its connection to observations, and its computational efficiency, RRTMG has been implemented operationally in many national and international dynamical models to provide validated radiative transfer for improving weather forecasts and enhancing the prediction of global climate change.

Approach to chemical equilibrium in thermal models

International Nuclear Information System (INIS)

Boal, D.H.

1984-01-01

The experimentally measured (μ - , charged particle)/(μ - ,n) and (p,n/p,p') ratios for the emission of energetic nucleons are used to estimate the time evolution of a system of secondary nucleons produced in a direct interaction of a projectile or captured muon. The values of these ratios indicate that chemical equilibrium is not achieved among the secondary nucleons in noncomposite induced reactions, and this restricts the time scale for the emission of energetic nucleons to be about 0.7 x 10 -23 sec. It is shown that the reason why thermal equilibrium can be reached so rapidly for a particular nucleon species is that the sum of the particle spectra produced in multiple direct reactions looks surprisingly thermal. The rate equations used to estimate the reaction times for muon and nucleon induced reactions are then applied to heavy ion collisions, and it is shown that chemical equilibrium can be reached more rapidly, as one would expect

The Evolution of the Large-Scale ISM: Bubbles, Superbubbles and Non-Equilibrium Ionization

Science.gov (United States)

de Avillez, M. A.; Breitschwerdt, D.

2010-12-01

The ISM, powered by SNe, is turbulent and permeated by a magnetic field (with a mean and a turbulent component). It constitutes a frothy medium that is mostly out of equilibrium and is ram pressure dominated on most of the temperature ranges, except for T 106K, where magnetic and thermal pressures dominate, respectively. Such lack of equilibrium is also imposed by the feedback of the radiative processes into the ISM flow. Many models of the ISM or isolated phenomena, such as bubbles, superbubbles, clouds evolution, etc., take for granted that the flow is in the so-called collisional ionization equilibrium (CIE). However, recombination time scales of most of the ions below 106 K are longer than the cooling time scale. This implies that the recombination lags behind and the plasma is overionized while it cools. As a consequence cooling deviates from CIE. This has severe implications on the evolution of the ISM flow and its ionization structure. Here, besides reviewing several models of the ISM, including bubbles and superbubbles, the validity of the CIE approximation is discussed, and a presentation of recent developments in modeling the ISM by taking into account the time-dependent ionization structure of the flow in a full-blown numerical 3D high resolution simulation is presented.

Comments on equilibrium, transient equilibrium, and secular equilibrium in serial radioactive decay

International Nuclear Information System (INIS)

Prince, J.R.

1979-01-01

Equations describing serial radioactive decay are reviewed along with published descriptions or transient and secular equilibrium. It is shown that terms describing equilibrium are not used in the same way by various authors. Specific definitions are proposed; they suggest that secular equilibrium is a subset of transient equilibrium

Computer program to solve two-dimensional shock-wave interference problems with an equilibrium chemically reacting air model

Science.gov (United States)

Glass, Christopher E.

1990-08-01

The computer program EASI, an acronym for Equilibrium Air Shock Interference, was developed to calculate the inviscid flowfield, the maximum surface pressure, and the maximum heat flux produced by six shock wave interference patterns on a 2-D, cylindrical configuration. Thermodynamic properties of the inviscid flowfield are determined using either an 11-specie, 7-reaction equilibrium chemically reacting air model or a calorically perfect air model. The inviscid flowfield is solved using the integral form of the conservation equations. Surface heating calculations at the impingement point for the equilibrium chemically reacting air model use variable transport properties and specific heat. However, for the calorically perfect air model, heating rate calculations use a constant Prandtl number. Sample calculations of the six shock wave interference patterns, a listing of the computer program, and flowcharts of the programming logic are included.

Some results of radiative balance in atmospheres with clouds

International Nuclear Information System (INIS)

Anduckia Avila, Juan Carlos; Pelkowski, Joaquin

2000-01-01

Vertical profiles of temperature for a semi grey three-Layer atmosphere are established using a radiative equilibrium condition. The approximation contains the greenhouse effect, scattering by clouds in one direction and isotropic diffuse reflection at the planet's surface. Absorption of short- wave radiation is also considered in one of the three layers. Similar models are contained therein

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

International Nuclear Information System (INIS)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C.; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M.; Watson, David B.

2007-01-01

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M. partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M. species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

Science.gov (United States)

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

2007-06-16

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

Equilibrium shoreface profiles

DEFF Research Database (Denmark)

Aagaard, Troels; Hughes, Michael G

2017-01-01

Large-scale coastal behaviour models use the shoreface profile of equilibrium as a fundamental morphological unit that is translated in space to simulate coastal response to, for example, sea level oscillations and variability in sediment supply. Despite a longstanding focus on the shoreface...... profile and its relevance to predicting coastal response to changing environmental conditions, the processes and dynamics involved in shoreface equilibrium are still not fully understood. Here, we apply a process-based empirical sediment transport model, combined with morphodynamic principles to provide......; there is no tuning or calibration and computation times are short. It is therefore easily implemented with repeated iterations to manage uncertainty....

Thermal equilibrium, stability and burn control

International Nuclear Information System (INIS)

Cohn, D.

1982-01-01

A number of aspects of the thermal stability and equilibrium control of ignited tokamak plasma have been investigated. Examined approaches were passive control (the effect of radial motion, the effect of radial motion and small additional transport loss), active control (the compression and decompression of plasma, subignited operation with small amount of variable external heating, and density control), and thermal equilibrium control (additional power loss from impurity radiation and enhanced transport from increased ripple). One-D calculation has been made on thermal instability eigen-modes. It was found that for electron thermal induction loss given by Alcator scaling and for neoclassical ion transport, there was at most one unstable mode with a temperature profile which maintains the temperature profile at thermal equilibrium. The effect of the coupling of temperature fluctuation and the fluctuation in major radius was investigated. Temperature driven radial motion combined with a small amount of ripple transport loss was found to be a very effective mechanism for passive thermal stability control. (Kato, T.)

Development of natural radiation model for evaluation of background radiation in radiation portal monitor

Energy Technology Data Exchange (ETDEWEB)

Kim, Jong Bum; Lee, Jin Hyung; Moon, Myung Kook [Radioisotope Research and Development Division, Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2016-11-15

In ports and airports, radiation portal monitors (RPM) are deployed to detect illicit radioactive materials. Detected gamma rays in a RPM include background radiation and radiation from a freight. As a vehicle moves through the RPM, the vehicle causes the fluctuations in the natural background radiation signal, which ranges of up to 30%. The fluctuation increases the uncertainty of detection signal and can be a cause of RPM false alarm. Therefore, it is important to evaluate background radiation as well as radiation from a container. In this paper, a natural background radiation model was developed to evaluate RPM. To develop natural background radiation model, a Monte Carlo simulation was performed and compared with experimental measurements from a RPM for {sup 40}K, {sup 232}Th series, and {sup 235}U series, which are major sources of natural background radiation. For a natural radiation source, we considered a cylindrical soil volume with 300 m radius and 1 m depth, which was estimated as the maximum range affecting the RPM by MCNP6 simulation. The volume source model was converted to surface source by using MCNP SSW card for computational efficiency. The computational efficiency of the surface source model was improved to approximately 200 times better than that of the volume source model. The surface source model is composed of a hemisphere with 20 m radius in which the RPM and container are modelled. The natural radiation spectrum from the simulation was best fitted to the experimental measurement when portions of {sup 40}K, {sup 232}Th series, and {sup 235}U series were 0.75, 0.0636, and 0.0552 Bq·g{sup -1}, respectively. For gross counting results, the difference between simulation and experiment was around 5%. The background radiation model was used to evaluate background suppression from a 40 ft container with 7.2 m·s{sup -1} speed. In further study, background models and freight models for RPM in real container ports will be developed and applied to

Mental models of radiation

International Nuclear Information System (INIS)

Saito, Kiyoko

2005-01-01

Laymen and experts participated in interviews designed to reveal their 'mental models' of the processes potentially causing the miscommunications between experts and the public. We analyzed their responses in terms of an 'expert model' circumscribing scientifically relevant information. From results, there are gaps even between experts. Experts on internal exposure focused mainly on artificial radiation and high level of radiation. Experts on radiation biology focused on medical radiation, level of risk, environmental radiation, and hot springs. Experts on dosimetric performance focused on atomic power generation and needs of radiological protection. It means that even experts, they have interests only on their own specialized field. (author)

Development of a bi-equilibrium model for biomass gasification in a downdraft bed reactor.

Science.gov (United States)

Biagini, Enrico; Barontini, Federica; Tognotti, Leonardo

2016-02-01

This work proposes a simple and accurate tool for predicting the main parameters of biomass gasification (syngas composition, heating value, flow rate), suitable for process study and system analysis. A multizonal model based on non-stoichiometric equilibrium models and a repartition factor, simulating the bypass of pyrolysis products through the oxidant zone, was developed. The results of tests with different feedstocks (corn cobs, wood pellets, rice husks and vine pruning) in a demonstrative downdraft gasifier (350kW) were used for validation. The average discrepancy between model and experimental results was up to 8 times less than the one with the simple equilibrium model. The repartition factor was successfully related to the operating conditions and characteristics of the biomass to simulate different conditions of the gasifier (variation in potentiality, densification and mixing of feedstock) and analyze the model sensitivity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Energy taxes and wages in a general equilibrium model of production

International Nuclear Information System (INIS)

Thompson, H.

2000-01-01

Energy taxes are responsible for a good deal of observed differences in energy prices across states and countries. They alter patterns of production and income distribution. The present paper examines the potential of energy taxes to lower wages in a general equilibrium model of production with capital, labour and energy inputs. (Author)

Transfer coefficients to terrestrial food products in equilibrium assessment models for nuclear installations

International Nuclear Information System (INIS)

Zach, R.

1980-09-01

Transfer coefficients have become virtually indispensible in the study of the fate of radioisotopes released from nuclear installations. These coefficients are used in equilibrium assessment models where they specify the degree of transfer in food chains of individual radioisotopes from soil to plant products and from feed or forage and drinking water to animal products and ultimately to man. Information on transfer coefficients for terrestrial food chain models is very piecemeal and occurs in a wide variety of journals and reports. To enable us to choose or determine suitable values for assessments, we have addressed the following aspects of transfer coefficients on a very broad scale: (1) definitions, (2) equilibrium assumption, which stipulates that transfer coefficients be restricted to equilibrium or steady rate conditions, (3) assumption of linearity, that is the idea that radioisotope concentrations in food products increase linearly with contamination levels in the soil or animal feed, (4) methods of determination, (5) variability, (6) generic versus site-specific values, (7) statistical aspects, (8) use, (9) sources of currently used values, (10) criteria for revising values, (11) establishment and maintenance of files on transfer coefficients, and (12) future developments. (auth)

A novel multiphysic model for simulation of swelling equilibrium of ionized thermal-stimulus responsive hydrogels

Science.gov (United States)

Li, Hua; Wang, Xiaogui; Yan, Guoping; Lam, K. Y.; Cheng, Sixue; Zou, Tao; Zhuo, Renxi

2005-03-01

In this paper, a novel multiphysic mathematical model is developed for simulation of swelling equilibrium of ionized temperature sensitive hydrogels with the volume phase transition, and it is termed the multi-effect-coupling thermal-stimulus (MECtherm) model. This model consists of the steady-state Nernst-Planck equation, Poisson equation and swelling equilibrium governing equation based on the Flory's mean field theory, in which two types of polymer-solvent interaction parameters, as the functions of temperature and polymer-network volume fraction, are specified with or without consideration of the hydrogen bond interaction. In order to examine the MECtherm model consisting of nonlinear partial differential equations, a meshless Hermite-Cloud method is used for numerical solution of one-dimensional swelling equilibrium of thermal-stimulus responsive hydrogels immersed in a bathing solution. The computed results are in very good agreements with experimental data for the variation of volume swelling ratio with temperature. The influences of the salt concentration and initial fixed-charge density are discussed in detail on the variations of volume swelling ratio of hydrogels, mobile ion concentrations and electric potential of both interior hydrogels and exterior bathing solution.

Clarifications to the limitations of the s-α equilibrium model for gyrokinetic computations of turbulence

International Nuclear Information System (INIS)

Lapillonne, X.; Brunner, S.; Dannert, T.; Jolliet, S.; Marinoni, A.; Villard, L.; Goerler, T.; Jenko, F.; Merz, F.

2009-01-01

In the context of gyrokinetic flux-tube simulations of microturbulence in magnetized toroidal plasmas, different treatments of the magnetic equilibrium are examined. Considering the Cyclone DIII-D base case parameter set [Dimits et al., Phys. Plasmas 7, 969 (2000)], significant differences in the linear growth rates, the linear and nonlinear critical temperature gradients, and the nonlinear ion heat diffusivities are observed between results obtained using either an s-α or a magnetohydrodynamic (MHD) equilibrium. Similar disagreements have been reported previously [Redd et al., Phys. Plasmas 6, 1162 (1999)]. In this paper it is shown that these differences result primarily from the approximation made in the standard implementation of the s-α model, in which the straight field line angle is identified to the poloidal angle, leading to inconsistencies of order ε (ε=a/R is the inverse aspect ratio, a the minor radius and R the major radius). An equilibrium model with concentric, circular flux surfaces and a correct treatment of the straight field line angle gives results very close to those using a finite ε, low β MHD equilibrium. Such detailed investigation of the equilibrium implementation is of particular interest when comparing flux tube and global codes. It is indeed shown here that previously reported agreements between local and global simulations in fact result from the order ε inconsistencies in the s-α model, coincidentally compensating finite ρ * effects in the global calculations, where ρ * =ρ s /a with ρ s the ion sound Larmor radius. True convergence between local and global simulations is finally obtained by correct treatment of the geometry in both cases, and considering the appropriate ρ * →0 limit in the latter case.

Simulating Nonequilibrium Radiation via Orthogonal Polynomial Refinement

Science.gov (United States)

2015-01-07

measured by the preprocessing time, computer memory space, and average query time. In many search procedures for the number of points np of a data set, a...analytic expression for the radiative flux density is possible by the commonly accepted local thermal equilibrium ( LTE ) approximation. A semi...Vol. 227, pp. 9463-9476, 2008. 10. Galvez, M., Ray-Tracing model for radiation transport in three-dimensional LTE system, App. Physics, Vol. 38

Can elliptical galaxies be equilibrium systems

Energy Technology Data Exchange (ETDEWEB)

Caimmi, R [Padua Univ. (Italy). Ist. di Astronomia

1980-08-01

This paper deals with the question of whether elliptical galaxies can be considered as equilibrium systems (i.e., the gravitational + centrifugal potential is constant on the external surface). We find that equilibrium models such as Emden-Chandrasekhar polytropes and Roche polytropes with n = 0 can account for the main part of observations relative to the ratio of maximum rotational velocity to central velocity dispersion in elliptical systems. More complex models involving, for example, massive halos could lead to a more complete agreement. Models that are a good fit to the observed data are characterized by an inner component (where most of the mass is concentrated) and a low-density outer component. A comparison is performed between some theoretical density distributions and the density distribution observed by Young et al. (1978) in NGC 4473, but a number of limitations must be adopted. Alternative models, such as triaxial oblate non-equilibrium configurations with coaxial shells, involve a number of problems which are briefly discussed. We conclude that spheroidal oblate models describing elliptical galaxies cannot be ruled out until new analyses relative to more refined theoretical equilibrium models (involving, for example, massive halos) and more detailed observations are performed.

The Equilibrium Analysis of a Closed Economy Model with Government and Money Market Sector

Directory of Open Access Journals (Sweden)

Catalin Angelo Ioan

2011-10-01

Full Text Available In this paper, we first study the static equilibrium of a a closed economy model in terms of dependence on national income and interest rate from the main factors namely the marginal propensity to consume, tax rate, investment rate and the rate of currency demand. In the second part, we study the dynamic equilibrium solutions in terms of stability. We thus obtain the variation functions of national income and interest rate variation and their limit values.

Non-equilibrium phase transitions

CERN Document Server

Henkel, Malte; Lübeck, Sven

2009-01-01

This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

An equilibrium pricing model for weather derivatives in a multi-commodity setting

International Nuclear Information System (INIS)

Lee, Yongheon; Oren, Shmuel S.

2009-01-01

Many industries are exposed to weather risk. Weather derivatives can play a key role in hedging and diversifying such risk because the uncertainty in a company's profit function can be correlated to weather condition which affects diverse industry sectors differently. Unfortunately the weather derivatives market is a classical example of an incomplete market that is not amenable to standard methodologies used for derivative pricing in complete markets. In this paper, we develop an equilibrium pricing model for weather derivatives in a multi-commodity setting. The model is constructed in the context of a stylized economy where agents optimize their hedging portfolios which include weather derivatives that are issued in a fixed quantity by a financial underwriter. The supply and demand resulting from hedging activities and the supply by the underwriter are combined in an equilibrium pricing model under the assumption that all agents maximize some risk averse utility function. We analyze the gains due to the inclusion of weather derivatives in hedging portfolios and examine the components of that gain attributable to hedging and to risk sharing. (author)

State-to-state modeling of non-equilibrium air nozzle flows

Science.gov (United States)

Nagnibeda, E.; Papina, K.; Kunova, O.

2018-05-01

One-dimensional non-equilibrium air flows in nozzles are studied on the basis of the state-to-state description of vibrational-chemical kinetics. Five-component mixture N2/O2/NO/N/O is considered taking into account Zeldovich exchange reactions of NO formation, dissociation, recombination and vibrational energy transitions. The equations for vibrational and chem-ical kinetics in a flow are coupled to the conservation equations of momentum and total energy and solved numerically for different conditions in a nozzle throat. The vibrational distributions of nitrogen and oxygen molecules, number densities of species as well as the gas temperature and flow velocity along a nozzle axis are analysed using the detailed state-to-state flow description and in the frame of the simplified one-temperature thermal equilibrium kinetic model. The comparison of the results showed the influence of non-equilibrium kinetics on macroscopic nozzle flow parameters. In the state-to-state approach, non-Boltzmann vibrational dis-tributions of N2 and O2 molecules with a plateau part at intermediate levels are found. The results are found with the use of the complete and simplified schemes of reactions and the impact of exchange reactions, dissociation and recombination on variation of vibrational level populations, mixture composition, gas velocity and temperature along a nozzle axis is shown.

Non-equilibrium supramolecular polymerization.

Science.gov (United States)

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

2017-09-18

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

Modelling of atmospheric mid-infrared radiative transfer: the AMIL2DA algorithm intercomparison experiment

International Nuclear Information System (INIS)

Clarmann, T. von; Hoepfner, M.; Funke, B.; Lopez-Puertas, M.; Dudhia, A.; Jay, V.; Schreier, F.; Ridolfi, M.; Ceccherini, S.; Kerridge, B.J.; Reburn, J.; Siddans, R.

2003-01-01

When retrieving atmospheric parameters from radiance spectra, the forward modelling of radiative transfer through the Earth's atmosphere plays a key role, since inappropriate modelling directly maps on to the retrieved state parameters. In the context of pre-launch activities of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) experiment, which is a high resolution limb emission sounder for measurement of atmospheric composition and temperature, five scientific groups intercompared their forward models within the framework of the Advanced MIPAS Level 2 Data Analysis (AMIL2DA) project. These forward models have been developed, or, in certain respects, adapted in order to be used as part of the groups' MIPAS data processing. The following functionalities have been assessed: the calculation of line strengths including non-local thermodynamic equilibrium, the evaluation of the spectral line shape, application of chi-factors and semi-empirical continua, the interpolation of pre-tabulated absorption cross sections in pressure and temperature, line coupling, atmospheric ray tracing, the integration of the radiative transfer equation through an inhomogeneous atmosphere, the convolution of monochromatic spectra with an instrument line shape function, and the integration of the incoming radiances over the instrument field of view

First principles modeling of hydrocarbons conversion in non-equilibrium plasma

Energy Technology Data Exchange (ETDEWEB)

Deminsky, M.A.; Strelkova, M.I.; Durov, S.G.; Jivotov, V.K.; Rusanov, V.D.; Potapkin, B.V. [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)

2001-07-01

Theoretical justification of catalytic activity of non-equilibrium plasma in hydrocarbons conversion process is presented in this paper. The detailed model of highest hydrocarbons conversion includes the gas-phase reactions, chemistry of the growth of polycyclic aromatic hydrocarbons (PAHs), precursor of soot particles formation, neutral, charged clusters and soot particle formation, ion-molecular gas-phase and heterogeneous chemistry. The results of theoretical analysis are compared with experimental results. (authors)

Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the (solid + liquid) equilibrium and the (vapour + liquid) equilibrium. The modified UNIFAC (Do) model characterization

International Nuclear Information System (INIS)

Domanska, Urszula; Lachwa, Joanna

2005-01-01

The (solid + liquid) equilibrium (SLE) of eight binary systems containing N-methyl-2-pyrrolidinone (NMP) with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) were carried out by using a dynamic method from T = 200 K to the melting point of the NMP. The isothermal (vapour + liquid) equilibrium data (VLE) have been measured for three binary mixtures of NMP with 2-propanone, 3-pentanone and 2-hexanone at pressure range from p = 0 kPa to p = 115 kPa. Data were obtained at the temperature T = 333.15 K for the first system and at T = 373.15 K for the second two systems. The experimental results of SLE have been correlated using the binary parameters Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.32 K to 0.68 K) and depend on the particular equation used. The data of VLE were correlated with one to three parameters in the Redlich-Kister expansion. Binary mixtures of NMP with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) have been investigated in the framework of the modified UNIFAC (Do) model. The reported new interaction parameters for NMP-group (c-CONCH 3 ) and carbonyl group ( C=O) let the model consistently described a set of thermodynamic properties, including (solid + liquid) equilibrium (vapour + liquid) equilibrium, excess Gibbs energy and molar excess enthalpies of mixing. Our experimental and literature data of binary mixtures containing NMP and ketones were compared with the results of prediction with the modified UNIFAC (Do) model

Dose estimation by simultaneous measurement of the radon/thoron concentration and the equilibrium factors in air using a passive dosemeter

International Nuclear Information System (INIS)

Urban, M.

1984-03-01

Responsible for an increased radiation exposure is the inhalation of radon and its short lived daughters. A time integrating passive dosemeter was developed to determine the concentrations of the radon isotopes as well as their equilibrium factors. The α energy spectrum inside a dosemeter is measured by means of a nuclear track detector. The concentrations in air and the equilibrium factors are calculated by using a new mathematical dosemeter model. A small pilot study in houses was done to test the dosemeter. (orig.) [de

Influence functionals and black body radiation

OpenAIRE

Anglin, J. R.

1993-01-01

The Feynman-Vernon formalism is used to obtain a microscopic, quantum mechanical derivation of black body radiation, for a massless scalar field in 1+1 dimensions, weakly coupled to an environment of finite size. The model exhibits the absorption, thermal equilibrium, and emission properties of a canonical black body, but shows that the thermal radiation propagates outwards from the body, with the Planckian spectrum applying inside a wavefront region of finite thickness. The black body enviro...

Evaluating equilibrium and non-equilibrium transport of bromide and isoproturon in disturbed and undisturbed soil columns

Science.gov (United States)

Dousset, S.; Thevenot, M.; Pot, V.; Šimunek, J.; Andreux, F.

2007-12-01

In this study, displacement experiments of isoproturon were conducted in disturbed and undisturbed columns of a silty clay loam soil under similar rainfall intensities. Solute transport occurred under saturated conditions in the undisturbed soil and under unsaturated conditions in the sieved soil because of a greater bulk density of the compacted undisturbed soil compared to the sieved soil. The objective of this work was to determine transport characteristics of isoproturon relative to bromide tracer. Triplicate column experiments were performed with sieved (structure partially destroyed to simulate conventional tillage) and undisturbed (structure preserved) soils. Bromide experimental breakthrough curves were analyzed using convective-dispersive and dual-permeability (DP) models (HYDRUS-1D). Isoproturon breakthrough curves (BTCs) were analyzed using the DP model that considered either chemical equilibrium or non-equilibrium transport. The DP model described the bromide elution curves of the sieved soil columns well, whereas it overestimated the tailing of the bromide BTCs of the undisturbed soil columns. A higher degree of physical non-equilibrium was found in the undisturbed soil, where 56% of total water was contained in the slow-flow matrix, compared to 26% in the sieved soil. Isoproturon BTCs were best described in both sieved and undisturbed soil columns using the DP model combined with the chemical non-equilibrium. Higher degradation rates were obtained in the transport experiments than in batch studies, for both soils. This was likely caused by hysteresis in sorption of isoproturon. However, it cannot be ruled out that higher degradation rates were due, at least in part, to the adopted first-order model. Results showed that for similar rainfall intensity, physical and chemical non-equilibrium were greater in the saturated undisturbed soil than in the unsaturated sieved soil. Results also suggested faster transport of isoproturon in the undisturbed soil due

Equilibrium and kinetic models for colloid release under transient solution chemistry conditions.

Science.gov (United States)

Bradford, Scott A; Torkzaban, Saeed; Leij, Feike; Simunek, Jiri

2015-10-01

We present continuum models to describe colloid release in the subsurface during transient physicochemical conditions. Our modeling approach relates the amount of colloid release to changes in the fraction of the solid surface area that contributes to retention. Equilibrium, kinetic, equilibrium and kinetic, and two-site kinetic models were developed to describe various rates of colloid release. These models were subsequently applied to experimental colloid release datasets to investigate the influence of variations in ionic strength (IS), pH, cation exchange, colloid size, and water velocity on release. Various combinations of equilibrium and/or kinetic release models were needed to describe the experimental data depending on the transient conditions and colloid type. Release of Escherichia coli D21g was promoted by a decrease in solution IS and an increase in pH, similar to expected trends for a reduction in the secondary minimum and nanoscale chemical heterogeneity. The retention and release of 20nm carboxyl modified latex nanoparticles (NPs) were demonstrated to be more sensitive to the presence of Ca(2+) than D21g. Specifically, retention of NPs was greater than D21g in the presence of 2mM CaCl2 solution, and release of NPs only occurred after exchange of Ca(2+) by Na(+) and then a reduction in the solution IS. These findings highlight the limitations of conventional interaction energy calculations to describe colloid retention and release, and point to the need to consider other interactions (e.g., Born, steric, and/or hydration forces) and/or nanoscale heterogeneity. Temporal changes in the water velocity did not have a large influence on the release of D21g for the examined conditions. This insensitivity was likely due to factors that reduce the applied hydrodynamic torque and/or increase the resisting adhesive torque; e.g., macroscopic roughness and grain-grain contacts. Our analysis and models improve our understanding and ability to describe the amounts

Non-equilibrium dynamics of open systems and fluctuation-dissipation theorems

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, B.; Kalvová, Anděla

2017-01-01

Roč. 65, 6-8 (2017), s. 1-23, č. článku 1700032. ISSN 0015-8208 Institutional support: RVO:68378271 Keywords : non-equilibrium * fluctuation-dissipation theorems * non-equilibrium Greens function * transient and steady state magnetic current * molecular bridge Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.434, year: 2016

Elaboration of collisional–radiative models for flows related to planetary entries into the Earth and Mars atmospheres

International Nuclear Information System (INIS)

Bultel, Arnaud; Annaloro, Julien

2013-01-01

The most relevant way to predict the excited state number density in a nonequilibrium plasma is to elaborate a collisional–radiative (CR) model taking into account most of the collisional and radiative elementary processes. Three examples of such an elaboration are given in this paper in the case of various plasma flows related to planetary atmospheric entries. The case of theoretical determination of nitrogen atom ionization or recombination global rate coefficients under electron impact is addressed first. The global rate coefficient can be implemented in multidimensional computational fluid dynamics calculations. The case of relaxation after a shock front crossing a gas of N 2 molecules treated in the framework of the Rankine–Hugoniot assumptions is also studied. The vibrational and electronic specific CR model elaborated in this case allows one to understand how the plasma reaches equilibrium and to estimate the role of the radiative losses. These radiative losses play a significant role at low pressure in the third case studied. This case concerns CO 2 plasma jets inductively generated in high enthalpy wind tunnels used as ground test facilities. We focus our attention on the behaviour of CO and C 2 electronic excited states, the radiative signature of which can be particularly significant in this type of plasma. These three cases illustrate the elaboration of CR models and their coupling with balance equations. (paper)

"Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

Science.gov (United States)

Nagarajan, Ramanathan

2015-07-01

Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

Financial equilibrium with career concerns

Directory of Open Access Journals (Sweden)

Amil Dasgupta

2006-03-01

Full Text Available What are the equilibrium features of a financial market where a sizeable proportion of traders face reputational concerns? This question is central to our understanding of financial markets, which are increasingly dominated by institutional investors. We construct a model of delegated portfolio management that captures key features of the US mutual fund industry and embed it in an asset pricing framework. We thus provide a formal model of financial equilibrium with career concerned agents. Fund managers differ in their ability to understand market fundamentals, and in every period investors choose a fund. In equilibrium, the presence of career concerns induces uninformed fund managers to churn, i.e., to engage in trading even when they face a negative expected return. Churners act as noise traders and enhance the level of trading volume. The equilibrium relationship between fund return and net fund flows displays a skewed shape that is consistent with stylized facts. The robustness of our core results is probed from several angles.

The Use of VMD Data/Model to Test Different Thermodynamic Models for Vapour-Liquid Equilibrium

DEFF Research Database (Denmark)

Abildskov, Jens; Azquierdo-Gil, M.A.; Jonsson, Gunnar Eigil

2004-01-01

Vacuum membrane distillation (VMD) has been studied as a separation process to remove volatile organic compounds from aqueous streams. A vapour pressure difference across a microporous hydrophobic membrane is the driving force for the mass transport through the membrane pores (this transport take...... place in vapour phase). The vapour pressure difference is obtained in VMD processes by applying a vacuum on one side of the membrane. The membrane acts as a mere support for the liquid-vapour equilibrium. The evaporation of the liquid stream takes place on the feed side of the membrane...... values; membrane type: PTFE/PP/PVDF; feed flow rate; feed temperature. A comparison is made between different thermodynamic models for calculating the vapour-liquid equilibrium at the membrane/pore interface. (C) 2004 Elsevier B.V. All rights reserved....

A new inorganic atmospheric aerosol phase equilibrium model (UHAERO

Directory of Open Access Journals (Sweden)

N. R. Amundson

2006-01-01

Full Text Available A variety of thermodynamic models have been developed to predict inorganic gas-aerosol equilibrium. To achieve computational efficiency a number of the models rely on a priori specification of the phases present in certain relative humidity regimes. Presented here is a new computational model, named UHAERO, that is both efficient and rigorously computes phase behavior without any a priori specification. The computational implementation is based on minimization of the Gibbs free energy using a primal-dual method, coupled to a Newton iteration. The mathematical details of the solution are given elsewhere. The model computes deliquescence behavior without any a priori specification of the relative humidities of deliquescence. Also included in the model is a formulation based on classical theory of nucleation kinetics that predicts crystallization behavior. Detailed phase diagrams of the sulfate/nitrate/ammonium/water system are presented as a function of relative humidity at 298.15 K over the complete space of composition.

Comparison of a model vapor deposited glass films to equilibrium glass films

Science.gov (United States)

Flenner, Elijah; Berthier, Ludovic; Charbonneau, Patrick; Zamponi, Francesco

Vapor deposition of particles onto a substrate held at around 85% of the glass transition temperature can create glasses with increased density, enthalpy, kinetic stability, and mechanical stability compared to an ordinary glass created by cooling. It is estimated that an ordinary glass would need to age thousands of years to reach the kinetic stability of a vapor deposited glass, and a natural question is how close to the equilibrium is the vapor deposited glass. To understand the process, algorithms akin to vapor deposition are used to create simulated glasses that have a higher kinetic stability than their annealed counterpart, although these glasses may not be well equilibrated either. Here we use novel models optimized for a swap Monte Carlo algorithm in order to create equilibrium glass films and compare their properties with those of glasses obtained from vapor deposition algorithms. This approach allows us to directly assess the non-equilibrium nature of vapor-deposited ultrastable glasses. Simons Collaboration on Cracking the Glass Problem and NSF Grant No. DMR 1608086.

Modeling of the equilibrium of a tokamak plasma

International Nuclear Information System (INIS)

Grandgirard, V.

1999-12-01

The simulation and the control of a plasma discharge in a tokamak require an efficient and accurate solving of the equilibrium because this equilibrium needs to be calculated again every microsecond to simulate discharges that can last up to 1000 seconds. The purpose of this thesis is to propose numerical methods in order to calculate these equilibrium with acceptable computer time and memory size. Chapter 1 deals with hydrodynamics equation and sets up the problem. Chapter 2 gives a method to take into account the boundary conditions. Chapter 3 is dedicated to the optimization of the inversion of the system matrix. This matrix being quasi-symmetric, the Woodbury method combined with Cholesky method has been used. This direct method has been compared with 2 iterative methods: GMRES (generalized minimal residual) and BCG (bi-conjugate gradient). The 2 last chapters study the control of the plasma equilibrium, this work is presented in the formalism of the optimized control of distributed systems and leads to non-linear equations of state and quadratic functionals that are solved numerically by a quadratic sequential method. This method is based on the replacement of the initial problem with a series of control problems involving linear equations of state. (A.C.)

ALARA in diagnosis and therapy: for an equilibrium medically reasonable

International Nuclear Information System (INIS)

Aurengo, A.; Fraboulet, P.

1998-01-01

After a recall about the differences of conceptions in radiation protection in the medical field it is shown how it is possible to make with efficiency an optimization approach and to lead towards an equilibrium medically acceptable between the therapeutic necessity and the protection of medical personnel. The problem of the patients radiation protection is out of this frame. (N.C.)

A simplified model exploration research of new anisotropic diffuse radiation model

International Nuclear Information System (INIS)

Yao, Wanxiang; Li, Zhengrong; Wang, Xiao; Zhao, Qun; Zhang, Zhigang; Lin, Lin

2016-01-01

Graphical abstract: The specific process of measured diffuse radiation data. - Highlights: • Simplified diffuse radiation model is extremely important for solar radiation simulation and energy simulation. • A new simplified anisotropic diffuse radiation model (NSADR model) is proposed. • The accuracy of existing models and NSADR model is compared based on the measured values. • The accuracy of the NSADR model is higher than that of the existing models, and suitable for calculating diffuse radiation. - Abstract: More accurate new anisotropic diffuse radiation model (NADR model) has been proposed, but the parameters and calculation process of NADR model used in the process are complex. So it is difficult to widely used in the simulation software and engineering calculation. Based on analysis of the diffuse radiation model and measured diffuse radiation data, this paper put forward three hypotheses: (1) diffuse radiation from sky horizontal region is concentrated in a very thin layer which is close to the line source; (2) diffuse radiation from circumsolar region is concentrated in the point of the sun; (3) diffuse radiation from orthogonal region is concentrated in the point located at 90 degree angles with the Sun. Based on these hypotheses, NADR model is simplified to a new simplified anisotropic diffuse radiation model (NSADR model). Then the accuracy of NADR model and its simplified model (NSADR model) are compared with existing models based on the measured values, and the result shows that Perez model and its simplified model are relatively accurate among existing models. However, the accuracy of these two models is lower than the NADR model and NSADR model due to neglect the influence of the orthogonal diffuse radiation. The accuracy of the NSADR model is higher than that of the existing models, meanwhile, another advantage is that the NSADR model simplifies the process of solution parameters and calculation. Therefore it is more suitable for

Development of a modified equilibrium model for biomass pilot-scale fluidized bed gasifier performance predictions

International Nuclear Information System (INIS)

Rodriguez-Alejandro, David A.; Nam, Hyungseok; Maglinao, Amado L.; Capareda, Sergio C.; Aguilera-Alvarado, Alberto F.

2016-01-01

The objective of this work is to develop a thermodynamic model considering non-stoichiometric restrictions. The model validation was done from experimental works using a bench-scale fluidized bed gasifier with wood chips, dairy manure, and sorghum. The model was used for a further parametric study to predict the performance of a pilot-scale fluidized biomass gasifier. The Gibbs free energy minimization was applied to the modified equilibrium model considering a heat loss to the surroundings, carbon efficiency, and two non-equilibrium factors based on empirical correlations of ER and gasification temperature. The model was in a good agreement with RMS <4 for the produced gas. The parametric study ranges were 0.01 < ER < 0.99 and 500 °C < T < 900 °C to predict syngas concentrations and its LHV (lower heating value) for the optimization. Higher aromatics in tar were contained in WC gasification compared to manure gasification. A wood gasification tar simulation was produced to predict the amount of tars at specific conditions. The operating conditions for the highest quality syngas were reconciled experimentally with three biomass wastes using a fluidized bed gasifier. The thermodynamic model was used to predict the gasification performance at conditions beyond the actual operation. - Highlights: • Syngas from experimental gasification was used to create a non-equilibrium model. • Different types of biomass (HTS, DM, and WC) were used for gasification modelling. • Different tar compositions were identified with a simulation of tar yields. • The optimum operating conditions were found through the developed model.

Observation of non-chemical equilibrium effect on Ar-CO2-H2 thermal plasma model by changing pressure

International Nuclear Information System (INIS)

Al-Mamun, Sharif Abdullah; Tanaka, Yasunori; Uesugi, Yoshihiko

2009-01-01

The authors developed a two-dimensional one-temperature chemical non-equilibrium (1T-NCE) model of Ar-CO 2 -H 2 inductively coupled thermal plasmas (ICTP) to investigate the effect of pressure variation. The basic concept of one-temperature model is the assumption and treatment of the same energy conservation equation for electrons and heavy particles. The energy conservation equations consider reaction heat effects and energy transfer among the species produced as well as enthalpy flow resulting from diffusion. Assuming twenty two (22) different particles in this model and by solving mass conservation equations for each particle, considering diffusion, convection and net production terms resulting from hundred and ninety eight (198) chemical reactions, chemical non-equilibrium effects were taken into account. Transport and thermodynamic properties of Ar-CO 2 -H 2 thermal plasmas were self-consistently calculated using the first-order approximation of the Chapman-Enskog method. Finally results obtained at atmospheric pressure (760 Torr) and at reduced pressure (500, 300 Torr) were compared with results from one-temperature chemical equilibrium (1T-CE) model. And of course, this comparison supported discussion of chemical non-equilibrium effects in the inductively coupled thermal plasmas (ICTP).

Approach to transverse equilibrium in axial channeling

International Nuclear Information System (INIS)

Fearick, R.W.

2000-01-01

Analytical treatments of channeling rely on the assumption of equilibrium on the transverse energy shell. The approach to equilibrium, and the nature of the equilibrium achieved, is examined using solutions of the equations of motion in the continuum multi-string model. The results show that the motion is chaotic in the absence of dissipative processes, and a complicated structure develops in phase space which prevent the development of the simple equilibrium usually assumed. The role of multiple scattering in smoothing out the equilibrium distribution is investigated

Equilibrium modeling of the TFCX poloidal field coil system

International Nuclear Information System (INIS)

Strickler, D.J.; Miller, J.B.; Rothe, K.E.; Peng, Y.K.M.

1984-04-01

The Toroidal Fusion Core Experiment (TFCX) isproposed to be an ignition device with a low safety factor (q approx. = 2.0), rf or rf-assisted startup, long inductive burn pulse (approx. 300 s), and an elongated plasma cross section (kappa = 1.6) with moderate triangularity (delta = 0.3). System trade studies have been carried out to assist in choosing an appropriate candidate for TFCX conceptual design. This report describes an important element in these system studies - the magnetohydrodynamic (MHD) equilibrium modeling of the TFCX poloidal field (PF) coil system and its impact on the choice of machine size. Reference design points for the all-super-conducting toroidal field (TF) coil (TFCX-S) and hybrid (TFCX-H) options are presented that satisfy given PF system criteria, including volt-second requirements during burn, mechanical configuration constraints, maximum field constraints at the superconducting PF coils, and plasma shape parameters. Poloidal coil current waveforms for the TFCX-S and TFCX-H reference designs consistent with the equilibrium requirements of the plasma startup, heating, and burn phases of a typical discharge scenario are calculated. Finally, a possible option for quasi-steady-state operation is discussed

Non-Equilibrium Solidification of Undercooled Metallic Melts

Directory of Open Access Journals (Sweden)

Dieter M. Herlach

2014-06-01

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

Evaluation of nuclear data for radiation shielding by model calculations and international co-operation aspects

International Nuclear Information System (INIS)

Canetta, E.; Maino, G.; Menapace, E.

2001-01-01

The matter is reviewed, also following previous discussions at ICRS-9, concerning evaluation and related theoretical activities on nuclear data for radiation shielding within the framework of international co-operation initiatives, according to recognised needs and priorities. Both cross-section data.- for reactions induced by neutrons and photons - and nuclear structure data have been considered. In this context, main contributions and typical results are presented from theoretical and evaluation activities at the ENEA Applied Physics Division, especially concerning neutron induced reaction data up to 20 MeV and photonuclear reaction data such as photon absorption and (gamma,n) cross-sections. Relevant aspects of algebraic nuclear models and of evaporation and pre-equilibrium models are discussed. (authors)

Modeling chromatographic columns. Non-equilibrium packed-bed adsorption with non-linear adsorption isotherms

NARCIS (Netherlands)

Özdural, A.R.; Alkan, A.; Kerkhof, P.J.A.M.

2004-01-01

In this work a new mathematical model, based on non-equilibrium conditions, describing the dynamic adsorption of proteins in columns packed with spherical adsorbent particles is used to study the performance of chromatographic systems. Simulations of frontal chromatography, including axial

Entropy of self-gravitating radiation

International Nuclear Information System (INIS)

Sorkin, R.D.; Wald, R.M.; Jiu, Z.Z.

1981-01-01

The entropy of self-gravitating radiation confined to a spherical box of radius R is examined in the context of general relativity. It is expected that configurations (i.e., initial data) which extremize total entropy will be spherically symmetric, time symmetric distributions of radiation in local thermodynamic equilibrium. Assuming this is the case, it is proved that extrema of S coincide precisely with static equilibrium configurations of the radiation fluid. Furthermore, dynamically stable equilibrium configurations are shown to coincide with local maxima of S. The equilibrium configurations and their entropies are calculated and their properties are discussed. However, it is shown that entropies higher than these local extrema can be achieved and, indeed, arbitrarily high entropies can be attained by configurations inside of or outside but arbitrarily near their own Schwarzschild radius. However, consideration is limited to configurations which are outside their own Schwarzschild radius by at least one radiation wavelength, then the entropy is bounded and it is found Ssub(max) < is approximately equal to MR, where M is the total mass. This supports the validity for self-gravitating systems of the Bekenstein upper limit on the entropy to energy ratio of material bodies. (author)

Modeling equilibrium adsorption of organic micropollutants onto activated carbon

KAUST Repository

De Ridder, David J.

2010-05-01

Solute hydrophobicity, polarizability, aromaticity and the presence of H-bond donor/acceptor groups have been identified as important solute properties that affect the adsorption on activated carbon. However, the adsorption mechanisms related to these properties occur in parallel, and their respective dominance depends on the solute properties as well as carbon characteristics. In this paper, a model based on multivariate linear regression is described that was developed to predict equilibrium carbon loading on a specific activated carbon (F400) for solutes reflecting a wide range of solute properties. In order to improve prediction accuracy, groups (bins) of solutes with similar solute properties were defined and solute removals were predicted for each bin separately. With these individual linear models, coefficients of determination (R2) values ranging from 0.61 to 0.84 were obtained. With the mechanistic approach used in developing this predictive model, a strong relation with adsorption mechanisms is established, improving the interpretation and, ultimately, acceptance of the model. © 2010 Elsevier Ltd.

Empirical investigation on modeling solar radiation series with ARMA–GARCH models

International Nuclear Information System (INIS)

Sun, Huaiwei; Yan, Dong; Zhao, Na; Zhou, Jianzhong

2015-01-01

Highlights: • Apply 6 ARMA–GARCH(-M) models to model and forecast solar radiation. • The ARMA–GARCH(-M) models produce more accurate radiation forecasting than conventional methods. • Show that ARMA–GARCH-M models are more effective for forecasting solar radiation mean and volatility. • The ARMA–EGARCH-M is robust and the ARMA–sGARCH-M is very competitive. - Abstract: Simulation of radiation is one of the most important issues in solar utilization. Time series models are useful tools in the estimation and forecasting of solar radiation series and their changes. In this paper, the effectiveness of autoregressive moving average (ARMA) models with various generalized autoregressive conditional heteroskedasticity (GARCH) processes, namely ARMA–GARCH models are evaluated for their effectiveness in radiation series. Six different GARCH approaches, which contain three different ARMA–GARCH models and corresponded GARCH in mean (ARMA–GARCH-M) models, are applied in radiation data sets from two representative climate stations in China. Multiple evaluation metrics of modeling sufficiency are used for evaluating the performances of models. The results show that the ARMA–GARCH(-M) models are effective in radiation series estimation. Both in fitting and prediction of radiation series, the ARMA–GARCH(-M) models show better modeling sufficiency than traditional models, while ARMA–EGARCH-M models are robustness in two sites and the ARMA–sGARCH-M models appear very competitive. Comparisons of statistical diagnostics and model performance clearly show that the ARMA–GARCH-M models make the mean radiation equations become more sufficient. It is recommended the ARMA–GARCH(-M) models to be the preferred method to use in the modeling of solar radiation series

Thermodynamic evolution far from equilibrium

Science.gov (United States)

Khantuleva, Tatiana A.

2018-05-01

The presented model of thermodynamic evolution of an open system far from equilibrium is based on the modern results of nonequilibrium statistical mechanics, the nonlocal theory of nonequilibrium transport developed by the author and the Speed Gradient principle introduced in the theory of adaptive control. Transition to a description of the system internal structure evolution at the mesoscopic level allows a new insight at the stability problem of non-equilibrium processes. The new model is used in a number of specific tasks.

Incorporating Cancer Stem Cells in Radiation Therapy Treatment Response Modeling and the Implication in Glioblastoma Multiforme Treatment Resistance

Energy Technology Data Exchange (ETDEWEB)

Yu, Victoria Y.; Nguyen, Dan; Pajonk, Frank; Kupelian, Patrick; Kaprealian, Tania; Selch, Michael; Low, Daniel A.; Sheng, Ke, E-mail: ksheng@mednet.ucla.edu

2015-03-15

Purpose: To perform a preliminary exploration with a simplistic mathematical cancer stem cell (CSC) interaction model to determine whether the tumor-intrinsic heterogeneity and dynamic equilibrium between CSCs and differentiated cancer cells (DCCs) can better explain radiation therapy treatment response with a dual-compartment linear-quadratic (DLQ) model. Methods and Materials: The radiosensitivity parameters of CSCs and DCCs for cancer cell lines including glioblastoma multiforme (GBM), non–small cell lung cancer, melanoma, osteosarcoma, and prostate, cervical, and breast cancer were determined by performing robust least-square fitting using the DLQ model on published clonogenic survival data. Fitting performance was compared with the single-compartment LQ (SLQ) and universal survival curve models. The fitting results were then used in an ordinary differential equation describing the kinetics of DCCs and CSCs in response to 2- to 14.3-Gy fractionated treatments. The total dose to achieve tumor control and the fraction size that achieved the least normal biological equivalent dose were calculated. Results: Smaller cell survival fitting errors were observed using DLQ, with the exception of melanoma, which had a low α/β = 0.16 in SLQ. Ordinary differential equation simulation indicated lower normal tissue biological equivalent dose to achieve the same tumor control with a hypofractionated approach for 4 cell lines for the DLQ model, in contrast to SLQ, which favored 2 Gy per fraction for all cells except melanoma. The DLQ model indicated greater tumor radioresistance than SLQ, but the radioresistance was overcome by hypofractionation, other than the GBM cells, which responded poorly to all fractionations. Conclusion: The distinct radiosensitivity and dynamics between CSCs and DCCs in radiation therapy response could perhaps be one possible explanation for the heterogeneous intertumor response to hypofractionation and in some cases superior outcome from

Incorporating Cancer Stem Cells in Radiation Therapy Treatment Response Modeling and the Implication in Glioblastoma Multiforme Treatment Resistance

International Nuclear Information System (INIS)

Yu, Victoria Y.; Nguyen, Dan; Pajonk, Frank; Kupelian, Patrick; Kaprealian, Tania; Selch, Michael; Low, Daniel A.; Sheng, Ke

2015-01-01

Purpose: To perform a preliminary exploration with a simplistic mathematical cancer stem cell (CSC) interaction model to determine whether the tumor-intrinsic heterogeneity and dynamic equilibrium between CSCs and differentiated cancer cells (DCCs) can better explain radiation therapy treatment response with a dual-compartment linear-quadratic (DLQ) model. Methods and Materials: The radiosensitivity parameters of CSCs and DCCs for cancer cell lines including glioblastoma multiforme (GBM), non–small cell lung cancer, melanoma, osteosarcoma, and prostate, cervical, and breast cancer were determined by performing robust least-square fitting using the DLQ model on published clonogenic survival data. Fitting performance was compared with the single-compartment LQ (SLQ) and universal survival curve models. The fitting results were then used in an ordinary differential equation describing the kinetics of DCCs and CSCs in response to 2- to 14.3-Gy fractionated treatments. The total dose to achieve tumor control and the fraction size that achieved the least normal biological equivalent dose were calculated. Results: Smaller cell survival fitting errors were observed using DLQ, with the exception of melanoma, which had a low α/β = 0.16 in SLQ. Ordinary differential equation simulation indicated lower normal tissue biological equivalent dose to achieve the same tumor control with a hypofractionated approach for 4 cell lines for the DLQ model, in contrast to SLQ, which favored 2 Gy per fraction for all cells except melanoma. The DLQ model indicated greater tumor radioresistance than SLQ, but the radioresistance was overcome by hypofractionation, other than the GBM cells, which responded poorly to all fractionations. Conclusion: The distinct radiosensitivity and dynamics between CSCs and DCCs in radiation therapy response could perhaps be one possible explanation for the heterogeneous intertumor response to hypofractionation and in some cases superior outcome from

Comparison of Themodynamic and Transport Property Models for Computing Equilibrium High Enthalpy Flows

Science.gov (United States)

Ramasahayam, Veda Krishna Vyas; Diwakar, Anant; Bodi, Kowsik

2017-11-01

To study the flow of high temperature air in vibrational and chemical equilibrium, accurate models for thermodynamic state and transport phenomena are required. In the present work, the performance of a state equation model and two mixing rules for determining equilibrium air thermodynamic and transport properties are compared with that of curve fits. The thermodynamic state model considers 11 species which computes flow chemistry by an iterative process and the mixing rules considered for viscosity are Wilke and Armaly-Sutton. The curve fits of Srinivasan, which are based on Grabau type transition functions, are chosen for comparison. A two-dimensional Navier-Stokes solver is developed to simulate high enthalpy flows with numerical fluxes computed by AUSM+-up. The accuracy of state equation model and curve fits for thermodynamic properties is determined using hypersonic inviscid flow over a circular cylinder. The performance of mixing rules and curve fits for viscosity are compared using hypersonic laminar boundary layer prediction on a flat plate. It is observed that steady state solutions from state equation model and curve fits match with each other. Though curve fits are significantly faster the state equation model is more general and can be adapted to any flow composition.

Numerical equilibrium analysis for structured consumer resource models.

Science.gov (United States)

de Roos, A M; Diekmann, O; Getto, P; Kirkilionis, M A

2010-02-01

In this paper, we present methods for a numerical equilibrium and stability analysis for models of a size structured population competing for an unstructured resource. We concentrate on cases where two model parameters are free, and thus existence boundaries for equilibria and stability boundaries can be defined in the (two-parameter) plane. We numerically trace these implicitly defined curves using alternatingly tangent prediction and Newton correction. Evaluation of the maps defining the curves involves integration over individual size and individual survival probability (and their derivatives) as functions of individual age. Such ingredients are often defined as solutions of ODE, i.e., in general only implicitly. In our case, the right-hand sides of these ODE feature discontinuities that are caused by an abrupt change of behavior at the size where juveniles are assumed to turn adult. So, we combine the numerical solution of these ODE with curve tracing methods. We have implemented the algorithms for "Daphnia consuming algae" models in C-code. The results obtained by way of this implementation are shown in the form of graphs.

First-principles atomistic Wulff constructions for an equilibrium rutile TiO2 shape modeling

Science.gov (United States)

Jiang, Fengzhou; Yang, Lei; Zhou, Dali; He, Gang; Zhou, Jiabei; Wang, Fanhou; Chen, Zhi-Gang

2018-04-01

Identifying the exposed surfaces of rutile TiO2 crystal is crucial for its industry application and surface engineering. In this study, the shape of the rutile TiO2 was constructed by applying equilibrium thermodynamics of TiO2 crystals via first-principles density functional theory (DFT) and Wulff principles. From the DFT calculations, the surface energies of six low-index stoichiometric facets of TiO2 are determined after the calibrations of crystal structure. And then, combined surface energy calculations and Wulff principles, a geometric model of equilibrium rutile TiO2 is built up, which is coherent with the typical morphology of fully-developed equilibrium TiO2 crystal. This study provides fundamental theoretical guidance for the surface analysis and surface modification of the rutile TiO2-based materials from experimental research to industry manufacturing.

Modeling of the (liquid + liquid) equilibrium of polydisperse hyperbranched polymer solutions by lattice-cluster theory

International Nuclear Information System (INIS)

Enders, Sabine; Browarzik, Dieter

2014-01-01

Graphical abstract: - Highlights: • Calculation of the (liquid + liquid) equilibrium of hyperbranched polymer solutions. • Description of branching effects by the lattice-cluster theory. • Consideration of self- and cross association by chemical association models. • Treatment of the molar-mass polydispersity by the use of continuous thermodynamics. • Improvement of the theoretical results by the incorporation of polydispersity. - Abstract: The (liquid + liquid) equilibrium of solutions of hyperbranched polymers of the Boltorn type is modeled in the framework of lattice-cluster theory. The association effects are described by the chemical association models CALM (for self association) and ECALM (for cross association). For the first time the molar mass polydispersity of the hyperbranched polymers is taken into account. For this purpose continuous thermodynamics is applied. Because the segment-molar excess Gibbs free energy depends on the number average of the segment number of the polymer the treatment is more general than in previous papers on continuous thermodynamics. The polydispersity is described by a generalized Schulz–Flory distribution. The calculation of the cloud-point curve reduces to two equations that have to be numerically solved. Conditions for the calculation of the spinodal curve and of the critical point are derived. The calculated results are compared to experimental data taken from the literature. For Boltorn solutions in non-polar solvents the polydispersity influence is small. In all other of the considered cases polydispersity influences the (liquid + liquid) equilibrium considerably. However, association and polydispersity influence phase equilibrium in a complex manner. Taking polydispersity into account the accuracy of the calculations is improved, especially, in the diluted region

The Extended Generalized Cost Concept and its Application in Freight Transport and General Equilibrium Modeling

NARCIS (Netherlands)

Tavasszy, L.; Davydenko, I.; Ruijgrok, K.

2009-01-01

The integration of Spatial Equilibrium models and Freight transport network models is important to produce consistent scenarios for future freight transport demand. At various spatial scales, we see the changes in production, trade, logistics networking and transportation, being driven by

ATHENA radiation model

International Nuclear Information System (INIS)

Shumway, R.W.

1987-10-01

The ATHENA computer program has many features that make it desirable to use as a space reactor evaluation tool. One of the missing features was a surface-to-surface thermal radiation model. A model was developed that allows any of the regular ATHENA heat slabs to radiate to any other heat slab. The view factors and surface emissivities must be specified by the user. To verify that the model was properly accounting for radiant energy transfer, two different types of test calculations were performed. Both calculations have excellent results. The updates have been used on both the INEL CDC-176 and the Livermore Cray. 7 refs., 2 figs., 6 tabs

Predicting paddlefish roe yields using an extension of the Beverton–Holt equilibrium yield-per-recruit model

Science.gov (United States)

Colvin, M.E.; Bettoli, Phillip William; Scholten, G.D.

2013-01-01

Equilibrium yield models predict the total biomass removed from an exploited stock; however, traditional yield models must be modified to simulate roe yields because a linear relationship between age (or length) and mature ovary weight does not typically exist. We extended the traditional Beverton-Holt equilibrium yield model to predict roe yields of Paddlefish Polyodon spathula in Kentucky Lake, Tennessee-Kentucky, as a function of varying conditional fishing mortality rates (10-70%), conditional natural mortality rates (cm; 9% and 18%), and four minimum size limits ranging from 864 to 1,016mm eye-to-fork length. These results were then compared to a biomass-based yield assessment. Analysis of roe yields indicated the potential for growth overfishing at lower exploitation rates and smaller minimum length limits than were suggested by the biomass-based assessment. Patterns of biomass and roe yields in relation to exploitation rates were similar regardless of the simulated value of cm, thus indicating that the results were insensitive to changes in cm. Our results also suggested that higher minimum length limits would increase roe yield and reduce the potential for growth overfishing and recruitment overfishing at the simulated cm values. Biomass-based equilibrium yield assessments are commonly used to assess the effects of harvest on other caviar-based fisheries; however, our analysis demonstrates that such assessments likely underestimate the probability and severity of growth overfishing when roe is targeted. Therefore, equilibrium roe yield-per-recruit models should also be considered to guide the management process for caviar-producing fish species.

Equilibrium Analysis of a Yellow Fever Dynamical Model with Vaccination

Directory of Open Access Journals (Sweden)

Silvia Martorano Raimundo

2015-01-01

Full Text Available We propose an equilibrium analysis of a dynamical model of yellow fever transmission in the presence of a vaccine. The model considers both human and vector populations. We found thresholds parameters that affect the development of the disease and the infectious status of the human population in the presence of a vaccine whose protection may wane over time. In particular, we derived a threshold vaccination rate, above which the disease would be eradicated from the human population. We show that if the mortality rate of the mosquitoes is greater than a given threshold, then the disease is naturally (without intervention eradicated from the population. In contrast, if the mortality rate of the mosquitoes is less than that threshold, then the disease is eradicated from the populations only when the growing rate of humans is less than another threshold; otherwise, the disease is eradicated only if the reproduction number of the infection after vaccination is less than 1. When this reproduction number is greater than 1, the disease will be eradicated from the human population if the vaccination rate is greater than a given threshold; otherwise, the disease will establish itself among humans, reaching a stable endemic equilibrium. The analysis presented in this paper can be useful, both to the better understanding of the disease dynamics and also for the planning of vaccination strategies.

Out-of-equilibrium dynamics in a Gaussian trap model

International Nuclear Information System (INIS)

Diezemann, Gregor

2007-01-01

The violations of the fluctuation-dissipation theorem are analysed for a trap model with a Gaussian density of states. In this model, the system reaches thermal equilibrium for long times after a quench to any finite temperature and therefore all ageing effect are of a transient nature. For not too long times after the quench it is found that the so-called fluctuation-dissipation ratio tends to a non-trivial limit, thus indicating the possibility for the definition of a timescale-dependent effective temperature. However, different definitions of the effective temperature yield distinct results. In particular, plots of the integrated response versus the correlation function strongly depend on the way they are constructed. Also the definition of effective temperatures in the frequency domain is not unique for the model considered. This may have some implications for the interpretation of results from computer simulations and experimental determinations of effective temperatures

Interface model conditions for a non-equilibrium heat transfer model for conjugate fluid/porous/solid domains

International Nuclear Information System (INIS)

Betchen, L.J.; Straatman, A.G.

2005-01-01

A mathematical and numerical model for the treatment of conjugate fluid flow and heat transfer problems in domains containing pure fluid, porous, and pure solid regions has been developed. The model is general and physically reasoned, and allows for local thermal non-equilibrium in the porous region. The model is developed for implementation on a simple collocated finite volume grid. Of particular novelty are the conditions implemented at the interfaces between porous regions, and those containing a pure solid or pure fluid. The model is validated by simulation of a three-dimensional porous plug problem for which experimental results are available. (author)

Simplified Thermo-Chemical Modelling For Hypersonic Flow

Science.gov (United States)

Sancho, Jorge; Alvarez, Paula; Gonzalez, Ezequiel; Rodriguez, Manuel

2011-05-01

Hypersonic flows are connected with high temperatures, generally associated with strong shock waves that appear in such flows. At high temperatures vibrational degrees of freedom of the molecules may become excited, the molecules may dissociate into atoms, the molecules or free atoms may ionize, and molecular or ionic species, unimportant at lower temperatures, may be formed. In order to take into account these effects, a chemical model is needed, but this model should be simplified in order to be handled by a CFD code, but with a sufficient precision to take into account the physics more important. This work is related to a chemical non-equilibrium model validation, implemented into a commercial CFD code, in order to obtain the flow field around bodies in hypersonic flow. The selected non-equilibrium model is composed of seven species and six direct reactions together with their inverse. The commercial CFD code where the non- equilibrium model has been implemented is FLUENT. For the validation, the X38/Sphynx Mach 20 case is rebuilt on a reduced geometry, including the 1/3 Lref forebody. This case has been run in laminar regime, non catalytic wall and with radiative equilibrium wall temperature. The validated non-equilibrium model is applied to the EXPERT (European Experimental Re-entry Test-bed) vehicle at a specified trajectory point (Mach number 14). This case has been run also in laminar regime, non catalytic wall and with radiative equilibrium wall temperature.

Analytical modeling of equilibrium of strongly anisotropic plasma in tokamaks and stellarators

International Nuclear Information System (INIS)

Lepikhin, N. D.; Pustovitov, V. D.

2013-01-01

Theoretical analysis of equilibrium of anisotropic plasma in tokamaks and stellarators is presented. The anisotropy is assumed strong, which includes the cases with essentially nonuniform distributions of plasma pressure on magnetic surfaces. Such distributions can arise at neutral beam injection or at ion cyclotron resonance heating. Then the known generalizations of the standard theory of plasma equilibrium that treat p ‖ and p ⊥ (parallel and perpendicular plasma pressures) as almost constant on magnetic surfaces are not applicable anymore. Explicit analytical prescriptions of the profiles of p ‖ and p ⊥ are proposed that allow modeling of the anisotropic plasma equilibrium even with large ratios of p ‖ /p ⊥ or p ⊥ /p ‖ . A method for deriving the equation for the Shafranov shift is proposed that does not require introduction of the flux coordinates and calculation of the metric tensor. It is shown that for p ⊥ with nonuniformity described by a single poloidal harmonic, the equation for the Shafranov shift coincides with a known one derived earlier for almost constant p ⊥ on a magnetic surface. This does not happen in the other more complex case

Effect of degree of order of silicon dioxide on localization processes of non-equilibrium charge carriers under the influence of gamma-radiation

CERN Document Server

Garibov, A A; Agaev, T N

1999-01-01

The effect of the degree of order of SiO sub 2 on the localization process of non-equilibrium charge carriers (NCC) when exposed to gamma-quanta at 77 K has been investigated. It has been found that with decreasing SiO sub 2 structure degree of order, a localization probability of NCC increases. A contribution of surface defect states in SiO sub 2 to localization, migration and recombination annihilation processes of NCC induced by ionizing radiation has been determined.

A Metastable Equilibrium Model for the Relative Abundances of Microbial Phyla in a Hot Spring

Science.gov (United States)

Dick, Jeffrey M.; Shock, Everett L.

2013-01-01

Many studies link the compositions of microbial communities to their environments, but the energetics of organism-specific biomass synthesis as a function of geochemical variables have rarely been assessed. We describe a thermodynamic model that integrates geochemical and metagenomic data for biofilms sampled at five sites along a thermal and chemical gradient in the outflow channel of the hot spring known as “Bison Pool” in Yellowstone National Park. The relative abundances of major phyla in individual communities sampled along the outflow channel are modeled by computing metastable equilibrium among model proteins with amino acid compositions derived from metagenomic sequences. Geochemical conditions are represented by temperature and activities of basis species, including pH and oxidation-reduction potential quantified as the activity of dissolved hydrogen. By adjusting the activity of hydrogen, the model can be tuned to closely approximate the relative abundances of the phyla observed in the community profiles generated from BLAST assignments. The findings reveal an inverse relationship between the energy demand to form the proteins at equal thermodynamic activities and the abundance of phyla in the community. The distance from metastable equilibrium of the communities, assessed using an equation derived from energetic considerations that is also consistent with the information-theoretic entropy change, decreases along the outflow channel. Specific divergences from metastable equilibrium, such as an underprediction of the relative abundances of phototrophic organisms at lower temperatures, can be explained by considering additional sources of energy and/or differences in growth efficiency. Although the metabolisms used by many members of these communities are driven by chemical disequilibria, the results support the possibility that higher-level patterns of chemotrophic microbial ecosystems are shaped by metastable equilibrium states that depend on both the

Equilibrium in a random viewer model of television broadcasting

DEFF Research Database (Denmark)

Hansen, Bodil Olai; Keiding, Hans

2014-01-01

The authors considered a model of commercial television market with advertising with probabilistic viewer choice of channel, where private broadcasters may coexist with a public television broadcaster. The broadcasters influence the probability of getting viewer attention through the amount...... number of channels. The authors derive properties of equilibrium in an oligopolistic market with private broadcasters and show that the number of firms has a negative effect on overall advertising and viewer satisfaction. If there is a public channel that also sells advertisements but does not maximize...... profits, this will have a positive effect on advertiser and viewer satisfaction....

Model of opacity and emissivity of non-equilibrium plasma

International Nuclear Information System (INIS)

Politov V Y

2008-01-01

In this work the model describing absorption and emission properties of the non-equilibrium plasma is presented. It is based on the kinetics equations for populations of the ground, singly and doubly excited states of multi-charged ions. After solving these equations, the states populations together with the spectroscopic data, supplied in the special database for a lot ionization stages, are used for building the spectral distributions of plasma opacity and emissivity in STA approximation. Results of kinetics simulation are performed for such important X-ray converter as gold, which is investigated intensively in ICF-experiments

Deviations from mass transfer equilibrium and mathematical modeling of mixer-settler contactors

International Nuclear Information System (INIS)

Beyerlein, A.L.; Geldard, J.F.; Chung, H.F.; Bennett, J.E.

1980-01-01

This paper presents the mathematical basis for the computer model PUBG of mixer-settler contactors which accounts for deviations from mass transfer equilibrium. This is accomplished by formulating the mass balance equations for the mixers such that the mass transfer rate of nuclear materials between the aqueous and organic phases is accounted for. 19 refs

Phase equilibrium of North Sea oils with polar chemicals: Experiments and CPA modeling

DEFF Research Database (Denmark)

Frost, Michael Grynnerup; Kontogeorgis, Georgios M.; von Solms, Nicolas

2016-01-01

This work consists of a combined experimental and modeling study for oil - MEG - water systems, of relevance to petroleum applications. We present new experimental liquid-liquid equilibrium data for the mutual solubility of two North Sea oils + MEG and North Sea oils + MEG + water systems...

Energy, economy and equity interactions in a CGE [Computable General Equilibrium] model for Pakistan

International Nuclear Information System (INIS)

Naqvi, Farzana

1997-01-01

In the last three decades, Computable General Equilibrium modelling has emerged as an established field of applied economics. This book presents a CGE model developed for Pakistan with the hope that it will lay down a foundation for application of general equilibrium modelling for policy formation in Pakistan. As the country is being driven swiftly to become an open market economy, it becomes vital to found out the policy measures that can foster the objectives of economic planning, such as social equity, with the minimum loss of the efficiency gains from the open market resource allocations. It is not possible to build a model for practical use that can do justice to all sectors of the economy in modelling of their peculiar features. The CGE model developed in this book focuses on the energy sector. Energy is considered as one of the basic needs and an essential input to economic growth. Hence, energy policy has multiple criteria to meet. In this book, a case study has been carried out to analyse energy pricing policy in Pakistan using this CGE model of energy, economy and equity interactions. Hence, the book also demonstrates how researchers can model the fine details of one sector given the core structure of a CGE model. (UK)

A Quantal Response Statistical Equilibrium Model of Induced Technical Change in an Interactive Factor Market: Firm-Level Evidence in the EU Economies

Directory of Open Access Journals (Sweden)

Jangho Yang

2018-02-01

Full Text Available This paper studies the pattern of technical change at the firm level by applying and extending the Quantal Response Statistical Equilibrium model (QRSE. The model assumes that a large number of cost minimizing firms decide whether to adopt a new technology based on the potential rate of cost reduction. The firm in the model is assumed to have a limited capacity to process market signals so there is a positive degree of uncertainty in adopting a new technology. The adoption decision by the firm, in turn, makes an impact on the whole market through changes in the factor-price ratio. The equilibrium distribution of the model is a unimodal probability distribution with four parameters, which is qualitatively different from the Walrasian notion of equilibrium in so far as the state of equilibrium is not a single state but a probability distribution of multiple states. This paper applies Bayesian inference to estimate the unknown parameters of the model using the firm-level data of seven advanced OECD countries over eight years and shows that the mentioned equilibrium distribution from the model can satisfactorily recover the observed pattern of technical change.

Modeling Radiative Heat Transfer and Turbulence-Radiation Interactions in Engines

Energy Technology Data Exchange (ETDEWEB)

Paul, Chandan [Pennsylvania State Univ., University Park, PA (United States); Sircar, Arpan [Pennsylvania State Univ., University Park, PA (United States); Ferreyro-Fernandez, Sebastian [Pennsylvania State Univ., University Park, PA (United States); Imren, Abdurrahman [Pennsylvania State Univ., University Park, PA (United States); Haworth, Daniel C [Pennsylvania State Univ., University Park, PA (United States); Roy, Somesh P [Marquette University (United States); Ge, Wenjun [University of California Merced (United States); Modest, Michael F [University of California Merced (United States)

2017-04-26

Detailed radiation modelling in piston engines has received relatively little attention to date. Recently, it is being revisited in light of current trends towards higher operating pressures and higher levels of exhaust-gas recirculation, both of which enhance molecular gas radiation. Advanced high-efficiency engines also are expected to function closer to the limits of stable operation, where even small perturbations to the energy balance can have a large influence on system behavior. Here several different spectral radiation property models and radiative transfer equation (RTE) solvers have been implemented in an OpenFOAM-based engine CFD code, and simulations have been performed for a full-load (peak pressure ~200 bar) heavy-duty diesel engine. Differences in computed temperature fields, NO and soot levels, and wall heat transfer rates are shown for different combinations of spectral models and RTE solvers. The relative importance of molecular gas radiation versus soot radiation is examined. And the influence of turbulence-radiation interactions is determined by comparing results obtained using local mean values of composition and temperature to compute radiative emission and absorption with those obtained using a particle-based transported probability density function method.

Non-Equilibrium Heavy Flavored Hadron Yields from Chemical Equilibrium Strangeness-Rich QGP

OpenAIRE

Kuznetsova, Inga; Rafelski, Johann

2008-01-01

The yields of heavy flavored hadrons emitted from strangeness-rich QGP are evaluated within chemical non-equilibrium statistical hadronization model, conserving strangeness, charm, and entropy yields at hadronization.

On the equilibrium of a linear Extrap pinch

International Nuclear Information System (INIS)

Lehnert, B.

1982-01-01

The equilibrium is studied of a pinched linear plasma column of 'Extrap' type which is confined in a purely transverse magnetic field, partly arising from currents in a set of external conductor rods being introduced for stabilizing purposes. The axial and transverse losses are separated in a simplified theoretical model for which stability is assumed as a working hypothesis and anomalous transport as well as impurity radiation are neglected. Then, the reduction of the axial heat transport by the magnetic field will have a substantial effect on the over-all heat balance, thus leading to high temperatures at large axial lengths of the plasma column. Conditions near ignition should become possible at technically realistic linear dimensions and pinch currents. (orig.)

The non-equilibrium response of a superconductor to pair-breaking radiation measured over a broad frequency band

Energy Technology Data Exchange (ETDEWEB)

Visser, P. J. de, E-mail: p.j.devisser@tudelft.nl [Kavli Institute of NanoScience, Faculty of Applied Sciences, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands); Yates, S. J. C. [SRON Netherlands Institute for Space Research, Landleven 12, 9747AD Groningen (Netherlands); Guruswamy, T.; Goldie, D. J.; Withington, S. [Cavendish Laboratory, University of Cambridge, JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Neto, A.; Llombart, N. [Faculty of Electrical Engineering, Mathematics and Computer Science, Terahertz Sensing Group, Delft University of Technology, Mekelweg 4, 2628 CD Delft (Netherlands); Baryshev, A. M. [SRON Netherlands Institute for Space Research, Landleven 12, 9747AD Groningen (Netherlands); Kapteyn Astronomical Institute, University of Groningen, Landleven 12, 9747 AD Groningen (Netherlands); Klapwijk, T. M. [Kavli Institute of NanoScience, Faculty of Applied Sciences, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands); Physics Department, Moscow State Pedagogical University, Moscow 119991 (Russian Federation); Baselmans, J. J. A. [SRON Netherlands Institute for Space Research, Sorbonnelaan 2, 3584 CA Utrecht (Netherlands); Faculty of Electrical Engineering, Mathematics and Computer Science, Terahertz Sensing Group, Delft University of Technology, Mekelweg 4, 2628 CD Delft (Netherlands)

2015-06-22

We have measured the absorption of terahertz radiation in a BCS superconductor over a broad range of frequencies from 200 GHz to 1.1 THz, using a broadband antenna-lens system and a tantalum microwave resonator. From low frequencies, the response of the resonator rises rapidly to a maximum at the gap edge of the superconductor. From there on, the response drops to half the maximum response at twice the pair-breaking energy. At higher frequencies, the response rises again due to trapping of pair-breaking phonons in the superconductor. In practice, this is a measurement of the frequency dependence of the quasiparticle creation efficiency due to pair-breaking in a superconductor. The efficiency, calculated from the different non-equilibrium quasiparticle distribution functions at each frequency, is in agreement with the measurements.

The non-equilibrium response of a superconductor to pair-breaking radiation measured over a broad frequency band

International Nuclear Information System (INIS)

Visser, P. J. de; Yates, S. J. C.; Guruswamy, T.; Goldie, D. J.; Withington, S.; Neto, A.; Llombart, N.; Baryshev, A. M.; Klapwijk, T. M.; Baselmans, J. J. A.

2015-01-01

We have measured the absorption of terahertz radiation in a BCS superconductor over a broad range of frequencies from 200 GHz to 1.1 THz, using a broadband antenna-lens system and a tantalum microwave resonator. From low frequencies, the response of the resonator rises rapidly to a maximum at the gap edge of the superconductor. From there on, the response drops to half the maximum response at twice the pair-breaking energy. At higher frequencies, the response rises again due to trapping of pair-breaking phonons in the superconductor. In practice, this is a measurement of the frequency dependence of the quasiparticle creation efficiency due to pair-breaking in a superconductor. The efficiency, calculated from the different non-equilibrium quasiparticle distribution functions at each frequency, is in agreement with the measurements

Local Equilibrium and Retardation Revisited.

Science.gov (United States)

Hansen, Scott K; Vesselinov, Velimir V

2018-01-01

In modeling solute transport with mobile-immobile mass transfer (MIMT), it is common to use an advection-dispersion equation (ADE) with a retardation factor, or retarded ADE. This is commonly referred to as making the local equilibrium assumption (LEA). Assuming local equilibrium, Eulerian textbook treatments derive the retarded ADE, ostensibly exactly. However, other authors have presented rigorous mathematical derivations of the dispersive effect of MIMT, applicable even in the case of arbitrarily fast mass transfer. We resolve the apparent contradiction between these seemingly exact derivations by adopting a Lagrangian point of view. We show that local equilibrium constrains the expected time immobile, whereas the retarded ADE actually embeds a stronger, nonphysical, constraint: that all particles spend the same amount of every time increment immobile. Eulerian derivations of the retarded ADE thus silently commit the gambler's fallacy, leading them to ignore dispersion due to mass transfer that is correctly modeled by other approaches. We then present a particle tracking simulation illustrating how poor an approximation the retarded ADE may be, even when mobile and immobile plumes are continually near local equilibrium. We note that classic "LEA" (actually, retarded ADE validity) criteria test for insignificance of MIMT-driven dispersion relative to hydrodynamic dispersion, rather than for local equilibrium. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

3D radiative transfer in stellar atmospheres

International Nuclear Information System (INIS)

Carlsson, M

2008-01-01

Three-dimensional (3D) radiative transfer in stellar atmospheres is reviewed with special emphasis on the atmospheres of cool stars and applications. A short review of methods in 3D radiative transfer shows that mature methods exist, both for taking into account radiation as an energy transport mechanism in 3D (magneto-) hydrodynamical simulations of stellar atmospheres and for the diagnostic problem of calculating the emergent spectrum in more detail from such models, both assuming local thermodynamic equilibrium (LTE) and in non-LTE. Such methods have been implemented in several codes, and examples of applications are given.

Models of diffuse solar radiation

Energy Technology Data Exchange (ETDEWEB)

Boland, John; Ridley, Barbara [Centre for Industrial and Applied Mathematics, University of South Australia, Mawson Lakes Boulevard, Mawson Lakes, SA 5095 (Australia); Brown, Bruce [Department of Statistics and Applied Probability, National University of Singapore, Singapore 117546 (Singapore)

2008-04-15

For some locations both global and diffuse solar radiation are measured. However, for many locations, only global is measured, or inferred from satellite data. For modelling solar energy applications, the amount of radiation on a tilted surface is needed. Since only the direct component on a tilted surface can be calculated from trigonometry, we need to have diffuse on the horizontal available. There are regression relationships for estimating the diffuse on a tilted surface from diffuse on the horizontal. Models for estimating the diffuse radiation on the horizontal from horizontal global that have been developed in Europe or North America have proved to be inadequate for Australia [Spencer JW. A comparison of methods for estimating hourly diffuse solar radiation from global solar radiation. Sol Energy 1982; 29(1): 19-32]. Boland et al. [Modelling the diffuse fraction of global solar radiation on a horizontal surface. Environmetrics 2001; 12: 103-16] developed a validated model for Australian conditions. We detail our recent advances in developing the theoretical framework for the approach reported therein, particularly the use of the logistic function instead of piecewise linear or simple nonlinear functions. Additionally, we have also constructed a method, using quadratic programming, for identifying values that are likely to be erroneous. This allows us to eliminate outliers in diffuse radiation values, the data most prone to errors in measurement. (author)

Non-equilibrium dynamics from RPMD and CMD.

Science.gov (United States)

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

International Nuclear Information System (INIS)

Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

2014-01-01

This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

Regret Theory and Equilibrium Asset Prices

Directory of Open Access Journals (Sweden)

Jiliang Sheng

2014-01-01

Full Text Available Regret theory is a behavioral approach to decision making under uncertainty. In this paper we assume that there are two representative investors in a frictionless market, a representative active investor who selects his optimal portfolio based on regret theory and a representative passive investor who invests only in the benchmark portfolio. In a partial equilibrium setting, the objective of the representative active investor is modeled as minimization of the regret about final wealth relative to the benchmark portfolio. In equilibrium this optimal strategy gives rise to a behavioral asset priciting model. We show that the market beta and the benchmark beta that is related to the investor’s regret are the determinants of equilibrium asset prices. We also extend our model to a market with multibenchmark portfolios. Empirical tests using stock price data from Shanghai Stock Exchange show strong support to the asset pricing model based on regret theory.

Sudden transition from equilibrium stability to chaotic dynamics in a cautious tâtonnement model

International Nuclear Information System (INIS)

Foroni, Ilaria; Avellone, Alessandro; Panchuk, Anastasiia

2015-01-01

Tâtonnement processes are usually interpreted as auctions, where a fictitious agent sets the prices until an equilibrium is reached and the trades are made. The main purpose of such processes is to explain how an economy comes to its equilibrium. It is well known that discrete time price adjustment processes may fail to converge and may exhibit periodic or even chaotic behavior. To avoid large price changes, a version of the discrete time tâtonnement process for reaching an equilibrium in a pure exchange economy based on a cautious updating of the prices has been proposed two decades ago. This modification leads to a one dimensional bimodal piecewise smooth map, for which we show analytically that degenerate bifurcations and border collision bifurcations play a fundamental role for the asymptotic behavior of the model.

Thermodynamic Modeling and Optimization of the Copper Flash Converting Process Using the Equilibrium Constant Method

Science.gov (United States)

Li, Ming-zhou; Zhou, Jie-min; Tong, Chang-ren; Zhang, Wen-hai; Chen, Zhuo; Wang, Jin-liang

2018-05-01

Based on the principle of multiphase equilibrium, a mathematical model of the copper flash converting process was established by the equilibrium constant method, and a computational system was developed with the use of MetCal software platform. The mathematical model was validated by comparing simulated outputs, industrial data, and published data. To obtain high-quality blister copper, a low copper content in slag, and increased impurity removal rate, the model was then applied to investigate the effects of the operational parameters [oxygen/feed ratio (R OF), flux rate (R F), and converting temperature (T)] on the product weights, compositions, and the distribution behaviors of impurity elements. The optimized results showed that R OF, R F, and T should be controlled at approximately 156 Nm3/t, within 3.0 pct, and at approximately 1523 K (1250 °C), respectively.

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Computation of Phase Equilibrium and Phase Envelopes

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Jørgensen, John Bagterp

formulate the involved equations in terms of the fugacity coefficients. We present expressions for the first-order derivatives. Such derivatives are necessary in computationally efficient gradient-based methods for solving the vapor-liquid equilibrium equations and for computing phase envelopes. Finally, we......In this technical report, we describe the computation of phase equilibrium and phase envelopes based on expressions for the fugacity coefficients. We derive those expressions from the residual Gibbs energy. We consider 1) ideal gases and liquids modeled with correlations from the DIPPR database...... and 2) nonideal gases and liquids modeled with cubic equations of state. Next, we derive the equilibrium conditions for an isothermal-isobaric (constant temperature, constant pressure) vapor-liquid equilibrium process (PT flash), and we present a method for the computation of phase envelopes. We...

Radiative equilibrium in solar prominences reconsidered

Czech Academy of Sciences Publication Activity Database

Heinzel, Petr; Anzer, U.

2012-01-01

Roč. 539, March (2012), A49/1-A49/6 ISSN 0004-6361 R&D Projects: GA ČR GA205/09/1705; GA ČR GAP209/10/1680 Institutional research plan: CEZ:AV0Z10030501 Keywords : Sun * radiative transfer Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 5.084, year: 2012

On radiative density limits in stellarators

International Nuclear Information System (INIS)

Wobig, H.

2001-01-01

Density limits in stellarators are caused mainly by enhanced impurity radiation leading to a collapse of the temperature. A simple model can be established, which computes the temperature in the plasma with a fixed heating profile and a temperature-dependent radiation profile. If the temperature-dependent radiation function has one or several extrema, multiple solutions of the transport equation exist and radiative collapse occurs when the high temperature branch merges with the unstable temperature branch. At this bifurcation point the temperature decreases to a stable low temperature solution. The bifurcation point is a function of the heating power and the plasma density. Thus a density limit can be defined as the point where bifurcation occurs. It is shown that bifurcation and sudden temperature collapse does not occur below a power threshold. Anomalous thermal conductivity and the details of the impurity radiation, which in the present model is assumed to be in corona equilibrium, determine the scaling of the density limit. A model of the anomalous transport is developed, which leads to Gyro-Bohm scaling of the confinement time. The density limit based on this transport model is close to experimental findings in Wendelstein 7-AS. (author)

Ordering phenomena and non-equilibrium properties of lattice gas models

International Nuclear Information System (INIS)

Fiig, T.

1994-03-01

This report falls within the general field of ordering processes and non-equilibrium properties of lattice gas models. The theory of diffuse scattering of lattice gas models originating from a random distribution of clusters is considered. We obtain relations between the diffuse part of the structure factor S dif (q), the correlation function C(r), and the size distribution of clusters D(n). For a number of distributions we calculate S dif (q) exactly in one dimension, and discuss the possibility for a Lorentzian and a Lorentzian square lineshape to arise. We discuss the two- and three-dimensional oxygen ordering processes in the high T c superconductor YBa 2 Cu 3 O 6+x based on a simple anisotropic lattice gas model. We calculate the structural phase diagram by Monte Carlo simulation and compared the results with experimental data. The structure factor of the oxygen ordering properties has been calculated in both two and three dimensions by Monte Carlo simulation. We report on results obtained from large scale computations on the Connection Machine, which are in excellent agreement with recent neutron diffraction data. In addition we consider the effect of the diffusive motion of metal-ion dopants on the oxygen ordering properties on YBa 2 Cu 3 O 6+x . The stationary properties of metastability in long-range interaction models are studied by application of a constrained transfer matrix (CTM) formalism. The model considered, which exhibits several metastable states, is an extension of the Blume Capel model to include weak long-range interactions. We show, that the decay rate of the metastable states is closely related to the imaginary part of the equilibrium free-energy density obtained from the CTM formalism. We discuss a class of lattice gas model for dissipative transport in the framework of a Langevin description, which is capable of producing power law spectra for the density fluctuations. We compare with numerical results obtained from simulations of a

Equilibrium modeling of mono and binary sorption of Cu(II and Zn(II onto chitosan gel beads

Directory of Open Access Journals (Sweden)

Nastaj Józef

2016-12-01

Full Text Available The objective of the work are in-depth experimental studies of Cu(II and Zn(II ion removal on chitosan gel beads from both one- and two-component water solutions at the temperature of 303 K. The optimal process conditions such as: pH value, dose of sorbent and contact time were determined. Based on the optimal process conditions, equilibrium and kinetic studies were carried out. The maximum sorption capacities equaled: 191.25 mg/g and 142.88 mg/g for Cu(II and Zn(II ions respectively, when the sorbent dose was 10 g/L and the pH of a solution was 5.0 for both heavy metal ions. One-component sorption equilibrium data were successfully presented for six of the most useful three-parameter equilibrium models: Langmuir-Freundlich, Redlich-Peterson, Sips, Koble-Corrigan, Hill and Toth. Extended forms of Langmuir-Freundlich, Koble-Corrigan and Sips models were also well fitted to the two-component equilibrium data obtained for different ratios of concentrations of Cu(II and Zn(II ions (1:1, 1:2, 2:1. Experimental sorption data were described by two kinetic models of the pseudo-first and pseudo-second order. Furthermore, an attempt to explain the mechanisms of the divalent metal ion sorption process on chitosan gel beads was undertaken.

A facilitated diffusion model constrained by the probability isotherm: a pedagogical exercise in intuitive non-equilibrium thermodynamics.

Science.gov (United States)

Chapman, Brian

2017-06-01

This paper seeks to develop a more thermodynamically sound pedagogy for students of biological transport than is currently available from either of the competing schools of linear non-equilibrium thermodynamics (LNET) or Michaelis-Menten kinetics (MMK). To this end, a minimal model of facilitated diffusion was constructed comprising four reversible steps: cis- substrate binding, cis → trans bound enzyme shuttling, trans -substrate dissociation and trans → cis free enzyme shuttling. All model parameters were subject to the second law constraint of the probability isotherm, which determined the unidirectional and net rates for each step and for the overall reaction through the law of mass action. Rapid equilibration scenarios require sensitive 'tuning' of the thermodynamic binding parameters to the equilibrium substrate concentration. All non-equilibrium scenarios show sigmoidal force-flux relations, with only a minority of cases having their quasi -linear portions close to equilibrium. Few cases fulfil the expectations of MMK relating reaction rates to enzyme saturation. This new approach illuminates and extends the concept of rate-limiting steps by focusing on the free energy dissipation associated with each reaction step and thereby deducing its respective relative chemical impedance. The crucial importance of an enzyme's being thermodynamically 'tuned' to its particular task, dependent on the cis- and trans- substrate concentrations with which it deals, is consistent with the occurrence of numerous isoforms for enzymes that transport a given substrate in physiologically different circumstances. This approach to kinetic modelling, being aligned with neither MMK nor LNET, is best described as intuitive non-equilibrium thermodynamics, and is recommended as a useful adjunct to the design and interpretation of experiments in biotransport.

Modelling of Equilibrium Between Mantle and Core: Refractory, Volatile, and Highly Siderophile Elements

Science.gov (United States)

Righter, K.; Danielson, L.; Pando, K.; Shofner, G.; Lee, C. -T.

2013-01-01

Siderophile elements have been used to constrain conditions of core formation and differentiation for the Earth, Mars and other differentiated bodies [1]. Recent models for the Earth have concluded that the mantle and core did not fully equilibrate and the siderophile element contents of the mantle can only be explained under conditions where the oxygen fugacity changes from low to high during accretion and the mantle and core do not fully equilibrate [2,3]. However these conclusions go against several physical and chemical constraints. First, calculations suggest that even with the composition of accreting material changing from reduced to oxidized over time, the fO2 defined by metal-silicate equilibrium does not change substantially, only by approximately 1 logfO2 unit [4]. An increase of more than 2 logfO2 units in mantle oxidation are required in models of [2,3]. Secondly, calculations also show that metallic impacting material will become deformed and sheared during accretion to a large body, such that it becomes emulsified to a fine scale that allows equilibrium at nearly all conditions except for possibly the length scale for giant impacts [5] (contrary to conclusions of [6]). Using new data for D(Mo) metal/silicate at high pressures, together with updated partitioning expressions for many other elements, we will show that metal-silicate equilibrium across a long span of Earth s accretion history may explain the concentrations of many siderophile elements in Earth's mantle. The modeling includes refractory elements Ni, Co, Mo, and W, as well as highly siderophile elements Au, Pd and Pt, and volatile elements Cd, In, Bi, Sb, Ge and As.

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Science.gov (United States)

Pohorille, Andrew; Wilson, Michael A.

2012-01-01

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Social security as Markov equilibrium in OLG models: A note

DEFF Research Database (Denmark)

Gonzalez Eiras, Martin

2011-01-01

I refine and extend the Markov perfect equilibrium of the social security policy game in Forni (2005) for the special case of logarithmic utility. Under the restriction that the policy function be continuous, instead of differentiable, the equilibrium is globally well defined and its dynamics...

A tightly coupled non-equilibrium model for inductively coupled radio-frequency plasmas

International Nuclear Information System (INIS)

Munafò, A.; Alfuhaid, S. A.; Panesi, M.; Cambier, J.-L.

2015-01-01

The objective of the present work is the development of a tightly coupled magneto-hydrodynamic model for inductively coupled radio-frequency plasmas. Non Local Thermodynamic Equilibrium (NLTE) effects are described based on a hybrid State-to-State approach. A multi-temperature formulation is used to account for thermal non-equilibrium between translation of heavy-particles and vibration of molecules. Excited electronic states of atoms are instead treated as separate pseudo-species, allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature. The governing equations for the electro-magnetic field and the gas properties (e.g., chemical composition and temperatures) are written as a coupled system of time-dependent conservation laws. Steady-state solutions are obtained by means of an implicit Finite Volume method. The results obtained in both LTE and NLTE conditions over a broad spectrum of operating conditions demonstrate the robustness of the proposed coupled numerical method. The analysis of chemical composition and temperature distributions along the torch radius shows that: (i) the use of the LTE assumption may lead to an inaccurate prediction of the thermo-chemical state of the gas, and (ii) non-equilibrium phenomena play a significant role close the walls, due to the combined effects of Ohmic heating and macroscopic gradients

Integrated environmental assessment of future energy scenarios based on economic equilibrium models

International Nuclear Information System (INIS)

Igos, E.; Rugani, B.; Rege, S.; Benetto, E.; Drouet, L.; Zachary, D.; Haas, T.

2014-01-01

The future evolution of energy supply technologies strongly depends on (and affects) the economic and environmental systems, due to the high dependency of this sector on the availability and cost of fossil fuels, especially on the small regional scale. This paper aims at presenting the modeling system and preliminary results of a research project conducted on the scale of Luxembourg to assess the environmental impact of future energy scenarios for the country, integrating outputs from partial and computable general equilibrium models within hybrid Life Cycle Assessment (LCA) frameworks. The general equilibrium model for Luxembourg, LUXGEM, is used to evaluate the economic impacts of policy decisions and other economic shocks over the time horizon 2006-2030. A techno-economic (partial equilibrium) model for Luxembourg, ETEM, is used instead to compute operation levels of various technologies to meet the demand for energy services at the least cost along the same timeline. The future energy demand and supply are made consistent by coupling ETEM with LUXGEM so as to have the same macro-economic variables and energy shares driving both models. The coupling results are then implemented within a set of Environmentally-Extended Input-Output (EE-IO) models in historical time series to test the feasibility of the integrated framework and then to assess the environmental impacts of the country. Accordingly, a dis-aggregated energy sector was built with the different ETEM technologies in the EE-IO to allow hybridization with Life Cycle Inventory (LCI) and enrich the process detail. The results show that the environmental impact slightly decreased overall from 2006 to 2009. Most of the impacts come from some imported commodities (natural gas, used to produce electricity, and metalliferous ores and metal scrap). The main energy production technology is the combined-cycle gas turbine plant 'Twinerg', representing almost 80% of the domestic electricity production in Luxembourg

Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry.

Science.gov (United States)

Vilar, Vítor J P; Botelho, Cidália M S; Boaventura, Rui A R

2007-05-08

Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mgl(-1) and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D(h), are 3.6 x 10(-8); 6.1 x 10(-8) and 2.4 x 10(-8)cm(2)s(-1), respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium.

Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry

International Nuclear Information System (INIS)

Vilar, Vitor J.P.; Botelho, Cidalia M.S.; Boaventura, Rui A.R.

2007-01-01

Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mg l -1 and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D h , are 3.6 x 10 -8 ; 6.1 x 10 -8 and 2.4 x 10 -8 cm 2 s -1 , respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium

Kinetics and equilibrium modelling of lead uptake by algae Gelidium and algal waste from agar extraction industry

Energy Technology Data Exchange (ETDEWEB)

Vilar, Vitor J.P. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Botelho, Cidalia M.S. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal); Boaventura, Rui A.R. [Laboratory of Separation and Reaction Engineering (LSRE), Departamento de Engenharia Quimica, Faculdade de Engenharia da Universidade do Porto, Rua Dr. Roberto Frias, 4200-465 Porto (Portugal)]. E-mail: bventura@fe.up.pt

2007-05-08

Pb(II) biosorption onto algae Gelidium, algal waste from agar extraction industry and a composite material was studied. Discrete and continuous site distribution models were used to describe the biosorption equilibrium at different pH (5.3, 4 and 3), considering competition among Pb(II) ions and protons. The affinity distribution function of Pb(II) on the active sites was calculated by the Sips distribution. The Langmuir equilibrium constant was compared with the apparent affinity calculated by the discrete model, showing higher affinity for lead ions at higher pH values. Kinetic experiments were conducted at initial Pb(II) concentrations of 29-104 mg l{sup -1} and data fitted to pseudo-first Lagergren and second-order models. The adsorptive behaviour of biosorbent particles was modelled using a batch mass transfer kinetic model, which successfully predicts Pb(II) concentration profiles at different initial lead concentration and pH, and provides significant insights on the biosorbents performance. Average values of homogeneous diffusivity, D {sub h}, are 3.6 x 10{sup -8}; 6.1 x 10{sup -8} and 2.4 x 10{sup -8} cm{sup 2} s{sup -1}, respectively, for Gelidium, algal waste and composite material. The concentration of lead inside biosorbent particles follows a parabolic profile that becomes linear near equilibrium.

Deviations from excitation equilibrium in optically thick mercury arc plasmas

International Nuclear Information System (INIS)

Karabourniotis, D.; Couris, S.; Damelincourt, J.J.

1989-01-01

Up to date mercury arcs at pressure greater than 1 atm have been investigated as plasma systems in local thermodynamic equilibrium (LTE) state. These studies have been motivated by the applications of mercury arcs, e.g., in the lighting industry. The LTE-assumption simplifies the use of spectroscopic diagnostics and the performance of species-concentration calculations. A high pressure mercury arc of about 1 atm had been considered in two possibilities: excitation and gas temperatures are the same, the electron temperature is higher and excitation and electron temperatures are the same, the gas temperature is lower. Recent measurements in mercury arcs reveal the existence of severe departures from thermal equilibrium and suggest the absence of excitation equilibrium in the axis and in the periphery in such an arc. The deviation from equilibrium leads to complicated distributions, such that the system cannot be described correctly by any single temperature. This becomes quite complicated when plasma inhomogeneity and strong reabsorption of the radiation are present

RRTM: A rapid radiative transfer model

Energy Technology Data Exchange (ETDEWEB)

Mlawer, E.J.; Taubman, S.J.; Clough, S.A. [Atmospheric and Environmental Research, Inc., Cambridge, MA (United States)

1996-04-01

A rapid radiative transfer model (RRTM) for the calculation of longwave clear-sky fluxes and cooling rates has been developed. The model, which uses the correlated-k method, is both accurate and computationally fast. The foundation for RRTM is the line-by-line radiative transfer model (LBLRTM) from which the relevant k-distributions are obtained. LBLRTM, which has been extensively validated against spectral observations e.g., the high-resolution sounder and the Atmospheric Emitted Radiance Interferometer, is used to validate the flux and cooling rate results from RRTM. Validations of RRTM`s results have been performed for the tropical, midlatitude summer, and midlatitude winter atmospheres, as well as for the four Intercomparison of Radiation Codes in Climate Models (ICRCCM) cases from the Spectral Radiance Experiment (SPECTRE). Details of some of these validations are presented below. RRTM has the identical atmospheric input module as LBLRTM, facilitating intercomparisons with LBLRTM and application of the model at the Atmospheric Radiation Measurement Cloud and Radiation Testbed sites.

30th International School of Mathematics "G Stampacchia" : Equilibrium Problems and Variational Models "Ettore Majorana"

CERN Document Server

Giannessi, Franco; Maugeri, Antonino; Equilibrium Problems and Variational Models

2000-01-01

The volume, devoted to variational analysis and its applications, collects selected and refereed contributions, which provide an outline of the field. The meeting of the title "Equilibrium Problems and Variational Models", which was held in Erice (Sicily) in the period June 23 - July 2 2000, was the occasion of the presentation of some of these papers; other results are a consequence of a fruitful and constructive atmosphere created during the meeting. New results, which enlarge the field of application of variational analysis, are presented in the book; they deal with the vectorial analysis, time dependent variational analysis, exact penalization, high order deriva­ tives, geometric aspects, distance functions and log-quadratic proximal methodology. The new theoretical results allow one to improve in a remarkable way the study of significant problems arising from the applied sciences, as continuum model of transportation, unilateral problems, multicriteria spatial price models, network equilibrium...

Local thermodynamic equilibrium in rapidly heated high energy density plasmas

International Nuclear Information System (INIS)

Aslanyan, V.; Tallents, G. J.

2014-01-01

Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance

Damage-spreading and out-of-equilibrium dynamics in the low-temperature regime of the two-dimensional ± J Edwards–Anderson model

International Nuclear Information System (INIS)

Rubio Puzzo, M L; Romá, F; Bustingorry, S; Gleiser, P M

2010-01-01

We present results showing the correlation between the out-of-equilibrium dynamics and the equilibrium damage-spreading process in the two-dimensional ± J Edwards–Anderson model at low temperatures. A key ingredient in our analysis is the projection of finite temperature spin configurations onto the ground state topology of the system. In particular, through numerical simulations we correlate ground state information with the out-of-equilibrium dynamics. We also analyse how the propagation of a small perturbation in equilibrated systems is related to the ground state topology. This damage-spreading study unveils the presence of rigid clusters of spins. We claim that these clusters give rise to the slow out-of-equilibrium dynamics observed in the temperature range between the glass temperature T g = 0 of the two-dimensional ± J Edwards–Anderson model and the critical temperature T c of the pure ferromagnetic Ising model

A Synthesis of Equilibrium and Historical Models of Landform Development.

Science.gov (United States)

Renwick, William H.

1985-01-01

The synthesis of two approaches that can be used in teaching geomorphology is described. The equilibrium approach explains landforms and landform change in terms of equilibrium between landforms and controlling processes. The historical approach draws on climatic geomorphology to describe the effects of Quaternary climatic and tectonic events on…

Thermodynamic parameters for mixtures of quartz under shock wave loading in views of the equilibrium model

International Nuclear Information System (INIS)

Maevskii, K. K.; Kinelovskii, S. A.

2015-01-01

The numerical results of modeling of shock wave loading of mixtures with the SiO 2 component are presented. The TEC (thermodynamic equilibrium component) model is employed to describe the behavior of solid and porous multicomponent mixtures and alloys under shock wave loading. State equations of a Mie–Grüneisen type are used to describe the behavior of condensed phases, taking into account the temperature dependence of the Grüneisen coefficient, gas in pores is one of the components of the environment. The model is based on the assumption that all components of the mixture under shock-wave loading are in thermodynamic equilibrium. The calculation results are compared with the experimental data derived by various authors. The behavior of the mixture containing components with a phase transition under high dynamic loads is described

Physics-based preconditioning and the Newton-Krylov method for non-equilibrium radiation diffusion

International Nuclear Information System (INIS)

Mousseau, V.A.; Knoll, D.A.; Rider, W.J.

2000-01-01

An algorithm is presented for the solution of the time dependent reaction-diffusion systems which arise in non-equilibrium radiation diffusion applications. This system of nonlinear equations is solved by coupling three numerical methods, Jacobian-free Newton-Krylov, operator splitting, and multigrid linear solvers. An inexact Newton's method is used to solve the system of nonlinear equations. Since building the Jacobian matrix for problems of interest can be challenging, the authors employ a Jacobian-free implementation of Newton's method, where the action of the Jacobian matrix on a vector is approximated by a first order Taylor series expansion. Preconditioned generalized minimal residual (PGMRES) is the Krylov method used to solve the linear systems that come from the iterations of Newton's method. The preconditioner in this solution method is constructed using a physics-based divide and conquer approach, often referred to as operator splitting. This solution procedure inverts the scalar elliptic systems that make up the preconditioner using simple multigrid methods. The preconditioner also addresses the strong coupling between equations with local 2 x 2 block solves. The intra-cell coupling is applied after the inter-cell coupling has already been addressed by the elliptic solves. Results are presented using this solution procedure that demonstrate its efficiency while incurring minimal memory requirements

Analysis of a No Equilibrium Linear Resistive-Capacitive-Inductance Shunted Junction Model, Dynamics, Synchronization, and Application to Digital Cryptography in Its Fractional-Order Form

Directory of Open Access Journals (Sweden)

Sifeu Takougang Kingni

2017-01-01

Full Text Available A linear resistive-capacitive-inductance shunted junction (LRCLSJ model obtained by replacing the nonlinear piecewise resistance of a nonlinear resistive-capacitive-inductance shunted junction (NRCLSJ model by a linear resistance is analyzed in this paper. The LRCLSJ model has two or no equilibrium points depending on the dc bias current. For a suitable choice of the parameters, the LRCLSJ model without equilibrium point can exhibit regular and fast spiking, intrinsic and periodic bursting, and periodic and chaotic behaviors. We show that the LRCLSJ model displays similar dynamical behaviors as the NRCLSJ model. Moreover the coexistence between periodic and chaotic attractors is found in the LRCLSJ model for specific parameters. The lowest order of the commensurate form of the no equilibrium LRCLSJ model to exhibit chaotic behavior is found to be 2.934. Moreover, adaptive finite-time synchronization with parameter estimation is applied to achieve synchronization of unidirectional coupled identical fractional-order form of chaotic no equilibrium LRCLSJ models. Finally, a cryptographic encryption scheme with the help of the finite-time synchronization of fractional-order chaotic no equilibrium LRCLSJ models is illustrated through a numerical example, showing that a high level security device can be produced using this system.

Equilibrium Solubility of CO2 in Alkanolamines

DEFF Research Database (Denmark)

Waseem Arshad, Muhammad; Fosbøl, Philip Loldrup; von Solms, Nicolas

2014-01-01

Equilibrium solubility of CO2 were measured in aqueous solutions of Monoethanolamine (MEA) and N,N-diethylethanolamine(DEEA). Equilibrium cells are generally used for these measurements. In this study, the equilibrium data were measured from the calorimetry. For this purpose a reaction calorimeter...... (model CPA 122 from ChemiSens AB, Sweden) was used. The advantage of this method is being the measurement of both heats of absorption and equilibrium solubility data of CO2 at the same time. The measurements were performed for 30 mass % MEA and 5M DEEA solutions as a function of CO2 loading at three...... different temperatures 40, 80 and 120 ºC. The measured 30 mass % MEA and 5M DEEA data were compared with the literature data obtained from different equilibrium cells which validated the use of calorimeters for equilibrium solubility measurements....

Nongray radiative heat transfer analysis in the anisotropic scattering fog layer subjected to solar irradiation

International Nuclear Information System (INIS)

Maruyama, Shigenao; Mori, Yusuke; Sakai, Seigo

2004-01-01

Radiative heat transfer in the fog layer is analyzed. Direct and diffuse solar irradiation, and infrared sky flux are considered as incident radiation. Anisotropic scattering of radiation by water droplets is taken into account. Absorption and emission of radiation by water droplets and radiative gases are also considered. Furthermore, spectral dependences of radiative properties of irradiation, reflectivity, gas absorption and scattering and absorption of mist are considered. The radiation element method by ray emission model (REM 2 ) is used for the nongray radiation analysis. Net downward radiative heat flux at the sea surface and radiative equilibrium temperature distribution in the fog layer are calculated for several conditions. Transmitted solar flux decreases as liquid water content (LWC) in the fog increases. However, the value does not become zero but has the value about 60 W/m 2 . The effect of humidity and mist on radiative cooling at night is investigated. Due to high temperature and humidity condition, the radiation cooling at night is not so large even in the clear sky. Furthermore, the radiative equilibrium temperature distribution in the fog layer in the daytime is higher as LWC increases, and the inversion layer of temperature occurs

Plasma equilibrium and stability in stellarators

International Nuclear Information System (INIS)

Pustovitov, V.D.; Shafranov, V.D.

1987-01-01

A review of theoretical methods of investigating plasma equilibrium and stability in stellarators is given. Principles forming the basis of toroidal plasma equilibrium and its stabilization, and the main results of analytical theory and numerical calculations are presented. Configurations with spiral symmetry and usual stellarators with plane axis and spiral fields are considered in detail. Derivation of scalar two-dimensional equations, describing equilibrium in these systems is given. These equations were used to obtain one-dimensional equations for displacement and ellipticity of magnetic surfaces. The model of weak-elliptic displaced surfaces was used to consider the evolution of plasma equilibrium in stellarators after elevation of its pressure: change of profile of rotational transformation after change of plasma pressure, current generation during its fast heating and its successive damping due to finite plasma conductivity were described. The derivation of equations of small oscillations in the form, suitable for local disturbance investigation is presented. These equations were used to obtain Mercier criteria and ballon model equations. General sufficient conditions of plasma stability in systems with magnetic confinement were derived

Preclinical models in radiation oncology

Directory of Open Access Journals (Sweden)

Kahn Jenna

2012-12-01

Full Text Available Abstract As the incidence of cancer continues to rise, the use of radiotherapy has emerged as a leading treatment modality. Preclinical models in radiation oncology are essential tools for cancer research and therapeutics. Various model systems have been used to test radiation therapy, including in vitro cell culture assays as well as in vivo ectopic and orthotopic xenograft models. This review aims to describe such models, their advantages and disadvantages, particularly as they have been employed in the discovery of molecular targets for tumor radiosensitization. Ultimately, any model system must be judged by its utility in developing more effective cancer therapies, which is in turn dependent on its ability to simulate the biology of tumors as they exist in situ. Although every model has its limitations, each has played a significant role in preclinical testing. Continued advances in preclinical models will allow for the identification and application of targets for radiation in the clinic.

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

International Nuclear Information System (INIS)

You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

2015-01-01

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

Energy Technology Data Exchange (ETDEWEB)

You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

2015-11-28

The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

Entropy analysis on non-equilibrium two-phase flow models

International Nuclear Information System (INIS)

Karwat, H.; Ruan, Y.Q.

1995-01-01

A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships

Entropy analysis on non-equilibrium two-phase flow models

Energy Technology Data Exchange (ETDEWEB)

Karwat, H.; Ruan, Y.Q. [Technische Universitaet Muenchen, Garching (Germany)

1995-09-01

A method of entropy analysis according to the second law of thermodynamics is proposed for the assessment of a class of practical non-equilibrium two-phase flow models. Entropy conditions are derived directly from a local instantaneous formulation for an arbitrary control volume of a structural two-phase fluid, which are finally expressed in terms of the averaged thermodynamic independent variables and their time derivatives as well as the boundary conditions for the volume. On the basis of a widely used thermal-hydraulic system code it is demonstrated with practical examples that entropy production rates in control volumes can be numerically quantified by using the data from the output data files. Entropy analysis using the proposed method is useful in identifying some potential problems in two-phase flow models and predictions as well as in studying the effects of some free parameters in closure relationships.

Statistical thermodynamics of equilibrium polymers at interfaces

NARCIS (Netherlands)

Gucht, van der J.; Besseling, N.A.M.

2002-01-01

The behavior of a solution of equilibrium polymers (or living polymers) at an interface is studied, using a Bethe-Guggenheim lattice model for molecules with orientation dependent interactions. The density profile of polymers and the chain length distribution are calculated. For equilibrium polymers

Chaos in a dynamic model of urban transportation network flow based on user equilibrium states

International Nuclear Information System (INIS)

Xu Meng; Gao Ziyou

2009-01-01

In this study, we investigate the dynamical behavior of network traffic flow. We first build a two-stage mathematical model to analyze the complex behavior of network flow, a dynamical model, which is based on the dynamical gravity model proposed by Dendrinos and Sonis [Dendrinos DS, Sonis M. Chaos and social-spatial dynamic. Berlin: Springer-Verlag; 1990] is used to estimate the number of trips. Considering the fact that the Origin-Destination (O-D) trip cost in the traffic network is hard to express as a functional form, in the second stage, the user equilibrium network assignment model was used to estimate the trip cost, which is the minimum cost of used path when user equilibrium (UE) conditions are satisfied. It is important to use UE to estimate the O-D cost, since a connection is built among link flow, path flow, and O-D flow. The dynamical model describes the variations of O-D flows over discrete time periods, such as each day and each week. It is shown that even in a system with dimensions equal to two, chaos phenomenon still exists. A 'Chaos Propagation' phenomenon is found in the given model.

Removal of semivolatiles from soils by steam stripping. 1. A local equilibrium model

International Nuclear Information System (INIS)

Wilson, D.J.; Clarke, A.N.

1992-01-01

A mathematical model for the in-situ steam stripping of volatile and semivolatile organics from contaminated vadose zone soils at hazardous waste sites is developed. A single steam injection well is modeled. The model assumes that the pneumatic permeability of the soil is spatially constant and isotropic, that the adsorption isotherm of the contaminant is linear, and that the local equilibrium approximation is adequate. The model is used to explore the streamlines and transit times of the injected steam as well as the effects of injection well depth and contaminant distribution on the time required for remediation

Near-wall extension of a non-equilibrium, omega-based Reynolds stress model

International Nuclear Information System (INIS)

Nguyen, Tue; Behr, Marek; Reinartz, Birgit

2011-01-01

In this paper, the development of a new ω-based Reynolds stress model that is consistent with asymptotic analysis in the near wall region and with rapid distortion theory in homogeneous turbulence is reported. The model is based on the SSG/LRR-ω model developed by Eisfeld (2006) with three main modifications. Firstly, the near wall behaviors of the redistribution, dissipation and diffusion terms are modified according to the asymptotic analysis and a new blending function based on low Reynolds number is proposed. Secondly, an anisotropic dissipation tensor based on the Reynolds stress inhomogeneity (Jakirlic et al., 2007) is used instead of the original isotropic model. Lastly, the SSG redistribution term, which is activated far from the wall, is replaced by Speziale's non-equilibrium model (Speziale, 1998).

Dose reconstruction modeling for medical radiation workers

International Nuclear Information System (INIS)

Choi, Yeong Chull; Cha, Eun Shil; Lee, Won Jin

2017-01-01

Exposure information is a crucial element for the assessment of health risk due to radiation. Radiation doses received by medical radiation workers have been collected and maintained by public registry since 1996. Since exposure levels in the remote past are greater concern, it is essential to reconstruct unmeasured doses in the past using known information. We developed retrodiction models for different groups of medical radiation workers and estimate individual past doses before 1996. Reconstruction models for past radiation doses received by medical radiation workers were developed, and the past doses were estimated. Using these estimates, organ doses should be calculated which, in turn, will be used to explore a wide range of health risks of medical occupational radiation exposure. Reconstruction models for past radiation doses received by medical radiation workers were developed, and the past doses were estimated. Using these estimates, organ doses should be calculated which, in turn, will be used to explore a wide range of health risks of medical occupational radiation exposure.

Dose reconstruction modeling for medical radiation workers

Energy Technology Data Exchange (ETDEWEB)

Choi, Yeong Chull; Cha, Eun Shil; Lee, Won Jin [Dept. of Preventive Medicine, Korea University, Seoul (Korea, Republic of)

2017-04-15

Exposure information is a crucial element for the assessment of health risk due to radiation. Radiation doses received by medical radiation workers have been collected and maintained by public registry since 1996. Since exposure levels in the remote past are greater concern, it is essential to reconstruct unmeasured doses in the past using known information. We developed retrodiction models for different groups of medical radiation workers and estimate individual past doses before 1996. Reconstruction models for past radiation doses received by medical radiation workers were developed, and the past doses were estimated. Using these estimates, organ doses should be calculated which, in turn, will be used to explore a wide range of health risks of medical occupational radiation exposure. Reconstruction models for past radiation doses received by medical radiation workers were developed, and the past doses were estimated. Using these estimates, organ doses should be calculated which, in turn, will be used to explore a wide range of health risks of medical occupational radiation exposure.

Atomic spectroscopy and radiative processes

CERN Document Server

Landi Degl'Innocenti, Egidio

2014-01-01

This book describes the basic physical principles of atomic spectroscopy and the absorption and emission of radiation in astrophysical and laboratory plasmas. It summarizes the basics of electromagnetism and thermodynamics and then describes in detail the theory of atomic spectra for complex atoms, with emphasis on astrophysical applications. Both equilibrium and non-equilibrium phenomena in plasmas are considered. The interaction between radiation and matter is described, together with various types of radiation (e.g., cyclotron, synchrotron, bremsstrahlung, Compton). The basic theory of polarization is explained, as is the theory of radiative transfer for astrophysical applications. Atomic Spectroscopy and Radiative Processes bridges the gap between basic books on atomic spectroscopy and the very specialized publications for the advanced researcher: it will provide under- and postgraduates with a clear in-depth description of theoretical aspects, supported by practical examples of applications.

Risk Route Choice Analysis and the Equilibrium Model under Anticipated Regret Theory

Directory of Open Access Journals (Sweden)

pengcheng yuan

2014-02-01

Full Text Available The assumption about travellers’ route choice behaviour has major influence on the traffic flow equilibrium analysis. Previous studies about the travellers’ route choice were mainly based on the expected utility maximization theory. However, with the gradually increasing knowledge about the uncertainty of the transportation system, the researchers have realized that there is much constraint in expected util­ity maximization theory, because expected utility maximiza­tion requires travellers to be ‘absolutely rational’; but in fact, travellers are not truly ‘absolutely rational’. The anticipated regret theory proposes an alternative framework to the tra­ditional risk-taking in route choice behaviour which might be more scientific and reasonable. We have applied the antici­pated regret theory to the analysis of the risk route choosing process, and constructed an anticipated regret utility func­tion. By a simple case which includes two parallel routes, the route choosing results influenced by the risk aversion degree, regret degree and the environment risk degree have been analyzed. Moreover, the user equilibrium model based on the anticipated regret theory has been established. The equivalence and the uniqueness of the model are proved; an efficacious algorithm is also proposed to solve the model. Both the model and the algorithm are demonstrated in a real network. By an experiment, the model results and the real data have been compared. It was found that the model re­sults can be similar to the real data if a proper regret degree parameter is selected. This illustrates that the model can better explain the risk route choosing behaviour. Moreover, it was also found that the traveller’ regret degree increases when the environment becomes more and more risky.

Temperature in non-equilibrium states: a review of open problems and current proposals

International Nuclear Information System (INIS)

Casas-Vazquez, J; Jou, D

2003-01-01

The conceptual problems arising in the definition and measurement of temperature in non-equilibrium states are discussed in this paper in situations where the local-equilibrium hypothesis is no longer satisfactory. This is a necessary and urgent discussion because of the increasing interest in thermodynamic theories beyond local equilibrium, in computer simulations, in non-linear statistical mechanics, in new experiments, and in technological applications of nanoscale systems and material sciences. First, we briefly review the concept of temperature from the perspectives of equilibrium thermodynamics and statistical mechanics. Afterwards, we explore which of the equilibrium concepts may be extrapolated beyond local equilibrium and which of them should be modified, then we review several attempts to define temperature in non-equilibrium situations from macroscopic and microscopic bases. A wide review of proposals is offered on effective non-equilibrium temperatures and their application to ideal and real gases, electromagnetic radiation, nuclear collisions, granular systems, glasses, sheared fluids, amorphous semiconductors and turbulent fluids. The consistency between the different relativistic transformation laws for temperature is discussed in the new light gained from this perspective. A wide bibliography is provided in order to foster further research in this field

Revealing patterns of cultural transmission from frequency data: equilibrium and non-equilibrium assumptions

Science.gov (United States)

Crema, Enrico R.; Kandler, Anne; Shennan, Stephen

2016-12-01

A long tradition of cultural evolutionary studies has developed a rich repertoire of mathematical models of social learning. Early studies have laid the foundation of more recent endeavours to infer patterns of cultural transmission from observed frequencies of a variety of cultural data, from decorative motifs on potsherds to baby names and musical preferences. While this wide range of applications provides an opportunity for the development of generalisable analytical workflows, archaeological data present new questions and challenges that require further methodological and theoretical discussion. Here we examine the decorative motifs of Neolithic pottery from an archaeological assemblage in Western Germany, and argue that the widely used (and relatively undiscussed) assumption that observed frequencies are the result of a system in equilibrium conditions is unwarranted, and can lead to incorrect conclusions. We analyse our data with a simulation-based inferential framework that can overcome some of the intrinsic limitations in archaeological data, as well as handle both equilibrium conditions and instances where the mode of cultural transmission is time-variant. Results suggest that none of the models examined can produce the observed pattern under equilibrium conditions, and suggest. instead temporal shifts in the patterns of cultural transmission.

A dynamical stabilizer in the climate system: a mechanism suggested by a simple model

Science.gov (United States)

Bates, J. R.

1999-05-01

A simple zonally averaged hemispheric model of the climate system is constructed, based on energy equations for two ocean basins separated at 30° latitude with the surface fluxes calculated explicitly. A combination of empirical input and theoretical calculation is used to determine an annual mean equilibrium climate for the model and to study its stability with respect to small perturbations. The insolation, the mean albedos and the equilibrium temperatures for the two model zones are prescribed from observation. The principal agent of interaction between the zones is the vertically integrated poleward transport of atmospheric angular momentum across their common boundary. This is parameterized using an empirical formula derived from a multiyear atmospheric data set. The surface winds are derived from the angular momentum transport assuming the atmosphere to be in a state of dynamic balance on the climatic timescales of interest. A further assumption that the air sea temperature difference and low level relative humidity remain fixed at their mean observed values then allows the surface fluxes of latent and sensible heat to be calculated. Results from a radiative model, which show a positive lower tropospheric water vapour/infrared radiative feedback on SST perturbations in both zones, are used to calculate the net upward infrared radiative fluxes at the surface. In the model's equilibrium climate, the principal processes balancing the solar radiation absorbed at the surface are evaporation in the tropical zone and net infrared radiation in the extratropical zone. The stability of small perturbations about the equilibrium is studied using a linearized form of the ocean energy equations. Ice-albedo and cloud feedbacks are omitted and attention is focussed on the competing effects of the water vapour/infrared radiative feedback and the turbulent surface flux and oceanic heat transport feedbacks associated with the angular momentum cycle. The perturbation equations

[Induced thymus aging: radiation model and application perspective for low intensive laser radiation].

Science.gov (United States)

Sevost'ianova, N N; Trofimov, A V; Lin'kova, N S; Poliakova, V O; Kvetnoĭ, I M

2010-01-01

The influence of gamma-radiation on morphofunctional state of thymus is rather like as natural thymus aging. However gamma-radiation model of thymus aging widely used to investigate geroprotectors has many shortcomings and limitations. Gamma-radiation can induce irreversible changes in thymus very often. These changes are more intensive in comparison with changes, which can be observed at natural thymus aging. Low intensive laser radiation can not destroy structure of thymus and its effects are rather like as natural thymus aging in comparison with gamma-radiation effects. There are many parameters of low intensive laser radiation, which can be changed to improve morphofunctional thymus characteristics in aging model. Using low intensive laser radiation in thymus aging model can be very perspective for investigations of aging immune system.

The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer with non-equilibrium model.

Directory of Open Access Journals (Sweden)

Zhixin Yang

Full Text Available The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.

Computer modelling of radiation-induced bystander effect

International Nuclear Information System (INIS)

Khvostunov, Igor K.; Nikjoo, Hooshang

2002-01-01

Radiation-induced genomic instability and bystander effects are now well established consequences of exposure of living cells to ionising radiation. It has been observed that cells not directly hit by radiation tracks may still exhibit radiation effects. We present a quantitative modelling of the radiation-induced bystander effect based on a diffusion model of spreading the bystander signal. The model assumes the bystander factor to be a protein of low molecular weight, given out by the hit cell, diffusing in the medium and reacting with non-hit cells. The model calculations successfully predict the results of cell survival in an irradiated conditioned medium. The model predicts the shape of dose-effect relationship for cell survival and oncogenic transformation induced by broad-beam and micro-beam irradiation by alpha-particles. (author)

Analytical modeling of worldwide medical radiation use

International Nuclear Information System (INIS)

Mettler, F.A. Jr.; Davis, M.; Kelsey, C.A.; Rosenberg, R.; Williams, A.

1987-01-01

An analytical model was developed to estimate the availability and frequency of medical radiation use on a worldwide basis. This model includes medical and dental x-ray, nuclear medicine, and radiation therapy. The development of an analytical model is necessary as the first step in estimating the radiation dose to the world's population from this source. Since there is no data about the frequency of medical radiation use in more than half the countries in the world and only fragmentary data in an additional one-fourth of the world's countries, such a model can be used to predict the uses of medical radiation in these countries. The model indicates that there are approximately 400,000 medical x-ray machines worldwide and that approximately 1.2 billion diagnostic medical x-ray examinations are performed annually. Dental x-ray examinations are estimated at 315 million annually and approximately 22 million in-vivo diagnostic nuclear medicine examinations. Approximately 4 million radiation therapy procedures or courses of treatment are undertaken annually

Equilibrium and non-equilibrium phenomena in arcs and torches

NARCIS (Netherlands)

Mullen, van der J.J.A.M.

2000-01-01

A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.

Millimeter radiation from a 3D model of the solar atmosphere. II. Chromospheric magnetic field

Science.gov (United States)

Loukitcheva, M.; White, S. M.; Solanki, S. K.; Fleishman, G. D.; Carlsson, M.

2017-05-01

Aims: We use state-of-the-art, three-dimensional non-local thermodynamic equilibrium (non-LTE) radiative magnetohydrodynamic simulations of the quiet solar atmosphere to carry out detailed tests of chromospheric magnetic field diagnostics from free-free radiation at millimeter and submillimeter wavelengths (mm/submm). Methods: The vertical component of the magnetic field was deduced from the mm/submm brightness spectra and the degree of circular polarization synthesized at millimeter frequencies. We used the frequency bands observed by the Atacama Large Millimeter/Submillimeter Array (ALMA) as a convenient reference. The magnetic field maps obtained describe the longitudinal magnetic field at the effective formation heights of the relevant wavelengths in the solar chromosphere. Results: The comparison of the deduced and model chromospheric magnetic fields at the spatial resolution of both the model and current observations demonstrates a good correlation, but has a tendency to underestimate the model field. The systematic discrepancy of about 10% is probably due to averaging of the restored field over the heights contributing to the radiation, weighted by the strength of the contribution. On the whole, the method of probing the longitudinal component of the magnetic field with free-free emission at mm/submm wavelengths is found to be applicable to measurements of the weak quiet-Sun magnetic fields. However, successful exploitation of this technique requires very accurate measurements of the polarization properties (primary beam and receiver polarization response) of the antennas, which will be the principal factor that determines the level to which chromospheric magnetic fields can be measured. Conclusions: Consequently, high-resolution and high-precision observations of circularly polarized radiation at millimeter wavelengths can be a powerful tool for producing chromospheric longitudinal magnetograms.

Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

Science.gov (United States)

Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

2016-03-01

Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

Model uncertainties of local-thermodynamic-equilibrium K-shell spectroscopy

Science.gov (United States)

Nagayama, T.; Bailey, J. E.; Mancini, R. C.; Iglesias, C. A.; Hansen, S. B.; Blancard, C.; Chung, H. K.; Colgan, J.; Cosse, Ph.; Faussurier, G.; Florido, R.; Fontes, C. J.; Gilleron, F.; Golovkin, I. E.; Kilcrease, D. P.; Loisel, G.; MacFarlane, J. J.; Pain, J.-C.; Rochau, G. A.; Sherrill, M. E.; Lee, R. W.

2016-09-01

Local-thermodynamic-equilibrium (LTE) K-shell spectroscopy is a common tool to diagnose electron density, ne, and electron temperature, Te, of high-energy-density (HED) plasmas. Knowing the accuracy of such diagnostics is important to provide quantitative conclusions of many HED-plasma research efforts. For example, Fe opacities were recently measured at multiple conditions at the Sandia National Laboratories Z machine (Bailey et al., 2015), showing significant disagreement with modeled opacities. Since the plasma conditions were measured using K-shell spectroscopy of tracer Mg (Nagayama et al., 2014), one concern is the accuracy of the inferred Fe conditions. In this article, we investigate the K-shell spectroscopy model uncertainties by analyzing the Mg spectra computed with 11 different models at the same conditions. We find that the inferred conditions differ by ±20-30% in ne and ±2-4% in Te depending on the choice of spectral model. Also, we find that half of the Te uncertainty comes from ne uncertainty. To refine the accuracy of the K-shell spectroscopy, it is important to scrutinize and experimentally validate line-shape theory. We investigate the impact of the inferred ne and Te model uncertainty on the Fe opacity measurements. Its impact is small and does not explain the reported discrepancies.

Warm-fluid description of intense beam equilibrium and electrostatic stability properties