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The effect of nonlinear diffusive heat transport in a simple climate model

The effects of nonlinear diffusive heat transport in North's (1975) model is reexamined. By inserting the nonlinearity into the original energy balance equation rather than the spectrally transformed linear algebraic equations, and including one more mode in the spectral expansion, it is found that nonlinear diffusion does give a significantly different sensitivity for states near the current climate. For linear diffusion, an increase of 0.1% of the solar constant from the present value is sufficient to melt all the ice on the earth, whereas an increase of about five times as large is required for nonlinear diffusion. This difference in sensitivity shows the importance of dynamical modeling in simple climate models.

Lin, C. A.↗

Evolution of Binary Supermassive Black Holes in Rotating Nuclei

The interaction of a binary supermassive black hole with stars in a galactic nucleus can result in changes to all the elements of the binary’s orbit, including the angles that define its orientation. If the nucleus is rotating, the orientation changes can be large, causing large changes in the binary’s orbital eccentricity as well. We present a general treatment of this problem based on the Fokker–Planck equation for f , defined as the probability distribution for the binary’s orbital elements. First- and second-order diffusion coefficients are derived for the orbital elements of the binary using numerical scattering experiments, and analytic approximations are presented for some of these coefficients. Solutions of the Fokker–Planck equation are then derived under various assumptions about the initial rotational state of the nucleus and the binary hardening rate. We find that the evolution of the orbital elements can become qualitatively different when we introduce nuclear rotation: (1) the orientation of the binary’s orbit evolves toward alignment with the plane of rotation of the nucleus and (2) binary orbital eccentricity decreases for aligned binaries and increases for counteraligned ones. We find that the diffusive (random-walk) component of a binary’s evolution is small in nuclei with non-negligible rotation, and we derive the time-evolution equations for the semimajor axis, eccentricity, and inclination in that approximation. The aforementioned effects could influence gravitational wave production as well as the relative orientation of host galaxies and radio jets.

79 ASTRONOMY AND ASTROPHYSICS↗

Diffuse-Interface Capturing Methods for Compressible Two-Phase Flows

Simulation of compressible flows became a routine activity with the appearance of shock-/contact-capturing methods. These methods can determine all waves, particularly discontinuous ones. However, additional difficulties may appear in two-phase and multimaterial flows due to the abrupt variation of thermodynamic properties across the interfacial region, with discontinuous thermodynamical representations at the interfaces. To overcome this difficulty, researchers have developed augmented systems of governing equations to extend the capturing strategy. These extended systems, reviewed here, are termed diffuse-interface models, because they are designed to compute flow variables correctly in numerically diffused zones surrounding interfaces. In particular, they facilitate coupling the dynamics on both sides of the (diffuse) interfaces and tend to the proper pure fluid–governing equations far from the interfaces. This strategy has become efficient for contact interfaces separating fluids that are governed by different equations of state, in the presence or absence of capillary effects, and with phase change. As a result, more sophisticated materials than fluids (e.g., elastic–plastic materials) have been considered as well.

42 ENGINEERING↗

Thermodynamic and Diffusion Model Estimates on Metamorphic Temperatures and Timescales for Basaltic Eucrite GRA 98098

Introduction: HED meteorites are thought to rep-resent igneous rocks from Vesta’s basaltic crust and preserve evidence of early crustal metamorphism. Determining the temperatures and timescales of thermal metamorphism is important for reconstructing crustal evolution in the early solar system. Here, we study basaltic eucrite Graves Nunataks (GRA) 98098, which has been identified as a highly metamorphosed eucrite [1]. We present new estimates on metamorphic temperatures determined via thermodynamic modeling as well as the initial results from diffusion models constraining timescales of thermal metamorphism. Sample Description: GRA 98098 is an unbrecciated eucrite with a granoblastic plagioclase and pyroxene mineralogy. Millimeter to cm-long lathes of tridymite cross-cut and poikilitically enclose plagioclase and pyroxene [1,this work]. Pyroxene grains have exsolved into Ca-rich (~Wo38En29Fs33) and Ca-poor (~Wo4.5En36Fs59.5) lamellae. Both unzoned and zoned plagioclase grains are observed. Unzoned plagioclase grains are found solely with tridymite laths. These grains have ~An92 compositions. The cores of the zoned plagioclase grains have the same composition and thin, relatively sodic rims (~An67), (Fig. 1). The bulk sample is unusually enriched in highly in-compatible elements and has one of the most fractionated REE patterns reported [1]. Maximum metamorphic temperatures of 985±78°C have been estimated using two-pyroxene thermometry [2]. Methods: Thermodynamic modeling. Thermodynamic models were constructed using the software Perple_X, which employs a Gibbs free energy minimization in order to determine the most stable phase assemblage for a given bulk rock composition [3]. Bulk composition was calculated using mineral com-positions acquired via EMPA (this study) and the observed abundancies present in the thin section. Two bulk compositions were estimated; 1) includes all phases present in the thin section, (assumes that all phases are present during metamorphism), 2) excludes tridymite from the bulk calculation (assumes that tridymite was not present during metamorphism). In order to determine whether metamorphic equilibria was achieved and estimate temperatures of metamorphism, we compared measured pyroxene compositions with thermodynamically predicted compositions [4, Fig. 2]. Diffusion Modeling. Several time-temperature de-pendent diffusion profiles were calculated in order to determine the best match for XAn chemical profiles observed at the edges of the zoned plagioclase (Fig. 3). We assumed that the start condition was a stepwise gradient at the plagioclase/pyroxene interface. We also assumed an average diffusion coefficient (D) and a constant temperature using the equation in [5]. D was determined for two temperatures (T = 1060ºC; near eucrite solidus [6] and T = 985ºC; metamorphism reported in [4]) and then XAn was calculated as a function of distance from plagioclase core to rim using an error function solution to Fick’s second law. Results: Thermodynamic model results are summarized in Fig. 2. For a bulk composition that includes all phases in the thin section, pyroxene endmember compositions plot in the following temperature ranges: Fs ~660-860ºC, En~1000ºC & 1150ºC, and Wo~760-900ºC (Fig. 2a). For a bulk composition that excludes tridymite from the peak metamorphic assemblage (i.e., the bulk composition minus the contribution from tridymite), a temperature range could not be determined for the Fs component of pyroxene. For Wo, T~760-900ºC and En, T~1000ºC & 1150ºC (Fig. 2b). Fig. 3 summarizes the diffusion model results. For T = 1060°C & 985°C, the most appropriate time interval was estimated based on which diffusion curve most matched (solid lines, Fig. 3) the EMPA data. For T = 1060°C, the best looking match was t = 500 ka. For T = 985°C, the best match was t = 7 Ma. Discussion and future work: Temperature estimates from thermodynamic models are not conclusive because the temperature ranges determined for pyroxene endmember stability do not overlap (colored fields in Fig. 2), thus implying that there is disequilibrium between pyroxene crystals and the bulk composition considered [4]. Thus, additional exploration is needed to define a metamorphically equilibrated do-main that accurately records peak temperature. The utility of defining metamorphically equilibrated do-mains to improve the accuracy and level of detail elucidated regarding the petrogenetic history of metamorphose samples has been demonstrated previously [4,7]. We suggest that in the case of Fig. 2a, the thin section composition is not representative of the length scales over which metamorphic equilibrium was achieve and in the case of Fig. 2b, the assumption that tridymite was not present during metamorphism was incorrect. However, results from thermodynamic models can provide insight into the relative timing of mineral and compositional textures. For example from texture alone, it is unclear whether tridymite was igneous in origin and represents the last bits of melt in a crystallizing magma chamber, or if it formed during (and possibly initiated) open system thermal metamorphism. The latter could be consistent with a partial melt hypothesis [8,9] while the former implies that simple fractional crystallization can yield the textures present in GRA 98098. The lack of coincidence be-tween pyroxene endmember compositions in Fig. 2b suggest that the bulk composition minus tridymite was not the assemblage in equilibrium with the pyroxene, suggesting that tridymite was present during metamorphism and formed during igneous crystallization. We conclude that the development of the Na-rich plagioclase rims likely occurred during or immediately after peak thermal metamorphism, because eucrites of similar metamorphic grade and texture have unzoned plagioclase (~An92) [2,4,8], and Na zoning is only observed in the plagioclase not included in the tridymite. This suggests that the zoning formed after tridymite formation, and therefore after igneous crystallization. Thus, the timescales calculated via diffusion modeling possibly represent the time interval over which thermal metamorphism occurred. Cooling rates approximated for the Vestan crust predict that the crust cooled below 300°C around 35-40 Ma after formation[10]. This is consistent with our modeling results that predict formation of the Na rich plagioclase rims occurring at higher temperatures over a period of 0.5 to 7 Ma years. Future work. Additional thermodynamic modeling work will focus on selecting an equilibrated bulk rock domain in which to elucidate metamorphic conditions. Diffusion models currently provide a minimum time-scale, since diffusion slows down as the system cools. Future work with will focus on integrating cooling into the diffusion models and constraining the depth at which thermal metamorphism occurs because it could be used to determine whether the range of time-scales calculated for thermal metamorphism are consistent with the geologic environment.

J S Gorce↗

Large-eddy simulation of flow through a plane, asymmetric diffuser

A challenge for traditional turbulence modeling, based on the Reynolds averaged Navier-Stokes equations, remains the accurate prediction of 'mild', adverse pressure-gradient driven separation from a smooth surface. With this study we want to explore the capability of large-eddy simulation to predict the separation which occurs on the deflected wall of an asymmetric, plane diffuser with opening angle of 10 deg. The flow through the plane diffuser exhibits some additional interesting physical phenomena which make it a challenging test case. In addition to 'mild' separation about halfway down the deflected ramp, the flow is characterized by a small backflow zone with stalled fluid in the rear part of the expanding section. The turbulent flow entering the diffuser is subject to combined adverse and radial pressure gradients stemming from the convex curvature. Finally the flow recovers into a developed, turbulent channel flow in the outlet section. Obi et al. provide measurements of mean flow, Reynolds stresses, and pressure recovery, which were obtained by means of LDV in a wind tunnel. The objective of this study is to investigate whether LES with the standard dynamic model is able to accurately predict the flow in the one-sided diffuser and to explore the resolution requirements and associated costs.

Kaltenbach, Hans-Jakob↗

Transport coefficients for magnetic-field evolution in inviscid magnetohydrodynamics

The magnetized resistivity and electrothermal tensors when substituted into the induction equation lead to electrothermal magnetic field generation, resistive magnetic diffusion, and magnetic field advection due to resistivity gradients, temperature gradients and currents. Here, the advection terms driven by temperature gradient and current have cross-field components (perpendicular to both the magnetic field and the driving term) that depend on significantly modified versions of Braginskii’s transport coefficients. The improved fits to Braginskii’s coefficients given by Epperlein and Haines and Ji and Held give physically incorrect results for cross-field advection at small Hall parameters (product of cyclotron frequency and collision time). The errors in Epperlein and Haines’ fits are particularly severe, giving increasing advection velocities below a Hall parameter of one when they should decrease linearly to zero. Epperlein and Haines’ fits can also give erroneous advection terms due to variations in effective atomic number. The only serious error in Braginskii’s fits is an overestimate in advection due to perpendicular resistivity. New fits for the cross-field advection terms are obtained from a direct numerical solution of the Fokker-Planck equation and Ji and Held’s higher order expansion approach that are continuous functions of the effective atomic number.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On an origin of numerical diffusion: Violation of invariance under space-time inversion

The invariant properties of the convection equation du/dt + adu/dx = 0 (where d is the partial differential operator) with respect to spatial reflection, time reversal, and space-time inversion are studied. Generally, a finite-difference analog of this equation may possess some or none of these properties. It is shown that, under certain conditions, the von Neumann amplification factor of an analog satisfies a special relation for each invariant property this analog possesses. Particularly, an analog is neutrally stable and thus free of numerical diffusion if it possesses the invariant property related to space-time inversion. It is also explained why generally (1) an upwind scheme possesses neither the invariant property related to spatial reflection nor that related to space-time inversion, and (2) an explicit scheme possesses neither the invariant property related to time reversal nor that related to space-time inversion. Extension to the viscous case and a remarkable connection between the current work and a new numerical framework for solving conservation laws are also discussed.

Chang, Sin-Chung↗

Transient permeation of organic vapors through elastomeric membranes

The permeation of benzene and acetone vapors through sulfur-cured natural rubber was studied by the time-lag method. The zero concentration diffusion coefficient, was obtained by the early-time method. The Frisch time lag equation was utilized to estimate both the solubility coefficient and the additional parameter required to define the concentration-dependence of the diffusion coefficient. This form of concentration dependence was manifested by the corresponding permeability coefficient values. At low entering penetrant pressure where the transport coefficients are constant, indirect evidence was obtained that zero diffusion coefficient is the mechanically correct diffusion coefficient. The solubility coefficient values calculated for benzene vapor in natural rubber are in reasonable agreement with published equilibrium sorption data for a similar rubber compound. At higher entering penetrant pressures, average diffusion coefficients obtained at steady state tended to be larger than the corresponding average diffusion coefficients derived from the time-lags.

Curry, J. E.↗

A unified mathematical theory of electrophoretic processes

A mathematical theory is presented which shows that each of the four classical electrophoretic modes (zone electrophoresis, moving boundary electrophoresis, isotachophoresis, and isoelectric focusing) is based on the same general principles and can collectively be described in terms of a single set of equations. This model can predict the evolution of the four electrophoretic modes as a function of time. The model system is one-dimensional, neglecting the effects of electroosmosis, temperature gradients, and any bulk flows of liquid. The model is based on equations which express the components' dissociation equilibria, the mass transport due to electromigration and diffusion, electroneutrality, and the conservation of mass and charge. The model consists of a system of coupled partial differential and nonlinear algebraic equations which can be solved numerically by use of a computer. The versatility of this model was verified using an example of a three-component system containing cacodylate, tris hydroxylmethylaminomethane, and histidine. Results show that this model not only correctly predicts the characteristic features of each electrophoretic mode, but also gives details of the concentration, pH, and conductivity profiles not easily amenable to direct experimental measurement.

Bier, M.↗

Calculation of three-dimensional, viscous flow through turbomachinery blade passages by parabolic marching

The three-dimensional compressible Navier-Stokes equations are formulated in a rotating coordinate system, so as to include centrifugal and Coriolis forces. The equations are parabolized by using a previously calculated inviscid static pressure field. The thin layer Navier-Stokes approximation, which neglects streamwise diffusion, is used. A body-fitted coordinate system is used. The streamwise momentum equation is uncoupled from the cross-stream momentum equation by using contravariant momentum components, and then using the contravariant velocity components as primary unknowns. To reduce problems with small separated regions, the Reyhner and Flugge-Lotz approximation is used. The energy equation is included to allow for calculation of heat transfer. The flow may be laminar, or a simple eddy-viscosity turbulence may be used. A number of curved ducts and an axial stator were analyzed, including cases for which experimental data are available.

Katsanis, T.↗

Calculation of three-dimensional, viscous flow through turbomachinery blade passages by parabolic marching

The three-dimensional compressible Navier-Stokes equations are formulated in a rotating coordinate system, so as to include centrifugal and Coriolis forces. The equations are parabolized by using a previously calculated inviscid static pressure field. The thin layer Navier-Stokes approximation, which neglects streamwise diffusion, is used. A body-fitted coordinate system is used. The streamwise momentum equation is uncoupled from the cross-stream momentum equation by using contravariant momentum components, and then using the contravariant velocity components as primary unknowns. To reduce problems with small separating regions, the Reyhner and Flugge-Lotz approximation is used. The energy equation is included to allow for calculation of heat transfer. The flow may be laminar, or a simple eddy-viscosity turbulence may be used. A number of curved ducts and an axial stator were analyzed, including cases for which experimental data are available.

Katsanis, T.↗

A computational study of diffusion in a glass-forming metallic liquid

In this study, liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In our computational study, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a general formulation for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. Furthermore, the composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.

36 MATERIALS SCIENCE↗

DNS, Enstrophy Balance, and the Dissipation Equation in a Separated Turbulent Channel Flow

The turbulent flows through a plane channel and a channel with a constriction (2-D hill) are numerically simulated using DNS and RANS calculations. The Navier-Stokes equations in the DNS are solved using a higher order kinetic energy preserving central schemes and a fifth order accurate upwind biased WENO scheme for the space discretization. RANS calculations are performed using the NASA code CFL3D with the komega SST two-equation model and a full Reynolds stress model. Using DNS, the magnitudes of different terms that appear in the enstrophy equation are evaluated. The results show that the dissipation and the diffusion terms reach large values at the wall. All the vortex stretching terms have similar magnitudes within the buffer region. Beyond that the triple correlation among the vorticity and strain rate fluctuations becomes the important kinematic term in the enstrophy equation. This term is balanced by the viscous dissipation. In the separated flow, the triple correlation term and the viscous dissipation term peak locally and balance each other near the separated shear layer region. These findings concur with the analysis of Tennekes and Lumley, confirming that the energy transfer terms associated with the small-scale dissipation and the fluctuations of the vortex stretching essentially cancel each other, leaving an equation for the dissipation that is governed by the large-scale motion.

Balakumar, Ponnampalam↗

Molecular evolution of contracting clouds - Basic methods and initial results

The relationship between the dynamics of the interstellar gas and the thermal and chemical effects associated with interstellar molecules and dust is investigated. The evolution of a rather massive isolated initially diffuse cloud under self-gravity is studied, using the equations of hydrodynamics; only radial motions are considered, and the heat, chemical, and radiative-transfer equations are solved simultaneously with the hydrodynamic equations. The relevant chemistry is described along with the thermal model, the radiative-transfer process, and the numerical methods employed. Results for a contracting cloud are discussed in terms of the problem of initial conditions, the dynamical evolution of the cloud, its chemical and thermal evolution, time scales, and column densities. It is shown that the chemical evolution of a massive contracting diffuse cloud is sensitive to such physical properties as temperature and ion abundances, that warm and cool versions of a typical cloud evolve differently, and that the physical origin of this effect is the level of heating due to H2 formation on interstellar dust grains.

Gerola, H.↗

Relativistic Electrons Observed at UARS and the Interpretation of their Storm-Associated Intensity Variations

The High Energy Particle Spectrometer (HEPS) instrument on the Upper Atmosphere Research Satellite (UARS) provides a database of electron intensities well resolved in energy and pitch-angle. Because of its 57 deg. orbital inclination, UARS encounters with magnetic shells L greater than 2 occur quite far off-equator (B/B (sub 0) greater than 9), corresponding to equatorial pitch angle alpha (sub 0) greater than 20 deg. Data acquired by HEPS (October 1991 through September 1994) span the declining phase of Solar Cycle 22. To reveal the storm-associated time dependence of relativistic electron intensities over the wide range of energies (50 keV to 5 MeV) covered by HEPS, we divide the daily average of the measured spectrum at a given L value (bin width = 0.25) by the corresponding 500-day average and plot the results with a color scale that spans only 2.5 decades. The data show that our off-equatorial electron intensities typically increase with time after the end of recovery phase (not during main phase or recovery phase) of each geomagnetic storm. The delay in off-equatorial energetic electron response and the subsequent lifetime of the corresponding electron flux enhancement seem to increase with particle energy above 300 keV. The trend below 300 keV seems to be opposite, such that the delay varies inversely with electron energy. Our working hypothesis for interpretation is that stormtime radial transport tends to increase the phase-space densities of trapped relativistic electrons but typically leads to a flux increases at specified energies only as the current (as indicated by Dst) decays. Flux enhancements in early recovery phase are greatest for equatorially mirroring electrons, and to pitch-angle anisotropies are initially large. Subsequent pitch-angle diffusion broadens the flux enhancement to particles that mirror off equator, thus gradually increasing low-altitude electron intensities (as detected by HEPS/UARS) on time scales equal to about 20% of corresponding lifetimes against diffusion into the loss cone. Alternative interpretations will also be examined.

Pesnell, W. D.↗

Hybrid approaches for multiple-species stochastic reaction–diffusion models

Reaction–diffusion models are used to describe systems in fields as diverse as physics, chemistry, ecology and biology. The fundamental quantities in such models are individual entities such as atoms and molecules, bacteria, cells or animals, which move and/or react in a stochastic manner. If the number of entities is large, accounting for each individual is inefficient, and often partial differential equation (PDE) models are used in which the stochastic behaviour of individuals is replaced by a description of the averaged, or mean behaviour of the system. In some situations the number of individuals is large in certain regions and small in others. In such cases, a stochastic model may be inefficient in one region, and a PDE model inaccurate in another. To overcome this problem, we develop a scheme which couples a stochastic reaction–diffusion system in one part of the domain with its mean field analogue, i.e. a discretised PDE model, in the other part of the domain. The interface in between the two domains occupies exactly one lattice site and is chosen such that the mean field description is still accurate there. In this way errors due to the flux between the domains are small. Our scheme can account for multiple dynamic interfaces separating multiple stochastic and deterministic domains, and the coupling between the domains conserves the total number of particles. The method preserves stochastic features such as extinction not observable in the mean field description, and is significantly faster to simulate on a computer than the pure stochastic model. - Highlights: • A novel hybrid stochastic/deterministic reaction–diffusion simulation method is given. • Can massively speed up stochastic simulations while preserving stochastic effects. • Can handle multiple reacting species. • Can handle moving boundaries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The diffusion of contaminant through an accretion disc

The manner in which a trace contaminant diffuses through an accretion disk is calculated. For a steady disk in which the ratio of diffusivity to viscosity, zeta, is taken to be constant through the disk and for which the surface density distribution is taken to be a power law, analytic solutions to the time-dependent equations governing contaminant evolution are presented. The amount of contaminant which can diffuse its way outwards against the bulk inward accretion flow is calculated, and it is shown that this is a sensitive function of a and zeta.

Clarke, C. J.↗