Optical constants and diffuse reflectance of opaque minerals: A modeling study using magnetite
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Ted L. Roush↗
SEARCH · Engineering Papers
Results for “Diffusion models”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Spectroscopic simulation of diffuse interstellar lines and a laboratory model for interstellar chemical synthesis
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Johnson, F. M.↗
Theoretical study of reactive and nonreactive turbulent coaxial jets
The hydrodynamic properties and the reaction kinetics of axisymmetric coaxial turbulent jets having steady mean quantities are investigated. From the analysis, limited to free turbulent boundary layer mixing of such jets, it is found that the two-equation model of turbulence is adequate for most nonreactive flows. For the reactive flows, where an allowance must be made for second order correlations of concentration fluctuations in the finite rate chemistry for initially inhomogeneous mixture, an equation similar to the concentration fluctuation equation of a related model is suggested. For diffusion limited reactions, the eddy breakup model based on concentration fluctuations is found satisfactory and simple to use. The theoretical results obtained from these various models are compared with some of the available experimental data.
Gupta, R. N.↗
Can stochastic, dissipative wave fields be treated as random walk generators
A suggestion by Meek et al. (1985) that the gravity wave field be viewed as stochastic, with significant nonlinearities, is applied to calculate diffusivities. The purpose here is to calculate the diffusivity for stochastic wave model and compare it with previous diffusivity estimates. The researchers do this for an idealized case in which the wind velocity changes but slowly, and for which saturation is the principal mechanism by which wave energy is lost. A related calculation was given in a very brief way (Weinstock, 1976), but the approximations were not fully justified, nor were the physical pre-suppositions clearly explained. The observations of Meek et al. (1985) have clarified the pre-suppositions for the researchers and provided a rationalization and improvement of the approximations employed.
Weinstock, J.↗
Implications of three-dimensional tracer studies for two-dimensional assessments of the impact of supersonic aircraft on stratospheric ozone
A 2D model which uses residual circulation and diffusion and a 3D model which uses winds from a stratospheric data assimilation system are used to estimate transport and dispersion of supersonic aircraft exhaust in the lower stratosphere. The seasonal behavior of the exhaust fields in the two models are is similar, but there is a significant difference in the placement of stratosphere/troposphere exchange in the two models. In the 2D model, exhaust transport to the troposphere occurs mostly at high latitudes, while in the 3D model it occurs at middle latitudes and is clearly associated with synoptic scale events. This may be particularly important to assessment calculations, as the pollutant source is mostly in middle latitudes. The 3D model is also used to examine the transport and dispersion of exhaust in three typical flight corridors: North Atlantic, North Pacific, and tropical. There are no systematic differences that suggest that one corridor is inherently more or less polluting than another.
Douglass, Anne R.↗
Promoting Solar Technology Diffusion Through Data-Driven Behavior Modeling.
Abstract not provided.
Lakkaraju, Kiran↗
Geometry of Non-Diffusive Tracer Transport in Gridded Atmospheric Models
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54 ENVIRONMENTAL SCIENCES↗
Characterization of Grain‐Size Distribution, Thermal Conductivity, and Gas Diffusivity in Variably Saturated Binary Sand Mixtures
Core Ideas Parameterized models are relevant to applications where different porous media mixtures are used. Models include a grain‐size distribution function to describe bimodal behavior for binary mixtures. Improved model describes observed thermal conductivity–saturation relations for binary mixtures. Combined Buckingham–Penman model used to describe observed gas diffusivity–air content relations. This work is relevant for proper simulation of mixed porous media. Characterization of differently textured porous materials, as well as different volumetric porous media mixtures, in relation to mass and heat transport is vital for many engineering and research applications. Functional relations describing physical (e.g., grain‐size distribution, total porosity), thermal, and gas diffusion properties of porous media and mixtures are necessary to optimize the design of porous systems that involve heat and gas transport processes. However, only a limited number of studies provide characterization of soil physical, thermal, and gas diffusion properties and the functional relationships of these properties under varying soil water contents, especially for soil mixtures, complicating optimization efforts. To better understand how mixing controls the physical, thermal, and gas diffusion properties of porous media, a set of laboratory experiments was performed using five volumetric mixtures of coarse‐ and fine‐grained sand particles. For each mixture, the grain‐size distribution (GSD), thermal conductivity, and gas diffusivity were obtained and parameterized using existing and suggested parametric models. Results show that the extended, two‐region Rosin–Rammler particle‐size distribution model proposed in this study could successfully describe the bimodal behavior of the GSD of binary mixtures. Further, the modified Côté and Konrad thermal conductivity model adequately described the thermal conductivity–water saturation relations observed in different mixtures. The proposed simple soil‐gas diffusivity descriptive model parameterized the upper limit, average, and lower limit behavior in gas diffusivity–air content relations in apparently texture‐invariant gas diffusivity data. Results further show a close analogy between gas diffusivity and thermal conductivity and their variation with saturation across different binary mixtures. Overall, the results of the study provide useful numerical insight into the physical, thermal, and gas transport characteristics of binary mixtures, with wide implications for future engineering and research applications that involve multicomponent porous systems.
Deepagoda, T. K. K. Chamindu↗
A BABCOCK–LEIGHTON SOLAR DYNAMO MODEL WITH MULTI-CELLULAR MERIDIONAL CIRCULATION IN ADVECTION- AND DIFFUSION-DOMINATED REGIMES
Babcock–Leighton type-solar dynamo models with single-celled meridional circulation are successful in reproducing many solar cycle features. Recent observations and theoretical models of meridional circulation do not indicate a single-celled flow pattern. We examine the role of complex multi-cellular circulation patterns in a Babcock–Leighton solar dynamo in advection- and diffusion-dominated regimes. We show from simulations that the presence of a weak, second, high-latitude reverse cell speeds up the cycle and slightly enhances the poleward branch in the butterfly diagram, whereas the presence of a second cell in depth reverses the tilt of the butterfly wing to an antisolar type. A butterfly diagram constructed from the middle of convection zone yields a solar-like pattern, but this may be difficult to realize in the Sun because of magnetic buoyancy effects. Each of the above cases behaves similarly in higher and lower magnetic diffusivity regimes. However, our dynamo with a meridional circulation containing four cells in latitude behaves distinctly differently in the two regimes, producing solar-like butterfly diagrams with fast cycles in the higher diffusivity regime, and complex branches in butterfly diagrams in the lower diffusivity regime. We also find that dynamo solutions for a four-celled pattern, two in radius and two in latitude, prefer to quickly relax to quadrupolar parity if the bottom flow speed is strong enough, of similar order of magnitude as the surface flow speed.
79 ASTRONOMY AND ASTROPHYSICS↗
Study on impact of Cr and Mo on diffusion of H in 2.25Cr1Mo steel using first-principle calculations
Chrome-molybdenum steel (2.25Cr1Mo steel) is one of the main materials of a steam generator (SG) in high-temperature reactor-pebblebed modules (HTR-PM). It is essential to analyze the source term of tritium in this material, because the behavior of tritium in a SG is important for performing source term analysis in normal and accident conditions. In this article, the diffusion behavior of H atom in 2.25Cr1Mo steel was calculated to estimate the diffusivity of tritium using first-principles density functional theory. To develop and simplify the model of hydrogen diffusion in 2.25Cr1Mo steel, the impact of Cr and Mo on the diffusion of hydrogen in bcc-Fe were first calculated, all the possible diffusion paths were considered, and the minimum energy path was obtained. The diffusion activation energy and pre-exponential factor of the diffusion coefficient were obtained from Vienna Ab initio Simulation Package combined with the climbing image-nudged elastic band method. Here the results indicate that the minimum energy path for the impurity H atom is from one tetrahedral interstitial site to an adjacent tetrahedral interstitial site. The function of the diffusion coefficient of H in 2.25Cr1Mo steel with temperature T can be expressed as D = 1.486 X 10 -7 x ($\frac{-16.350kJ/mol}{RT}$) (M2/s). The diffusion coefficient of our calculation and some of the previous experiments have an excellent quantitative agreement, which indicates the reliability of our crystalline model and the practicability of the present theoretical approach. More importantly, the computational results in this work can be treated as a good screening method to collect reasonable experimental data, which will provide a good reference for tritium source term evaluation in the SG of the HTR-PM.
36 MATERIALS SCIENCE↗
Selective Uptake of Ethane/Ethylene Mixtures by UTSA-280 is Driven by Reversibly Coordinated Water Defects
The metal–organic framework (MOF) UTSA-280 has been shown previously to separate ethane/ethylene mixtures. We show that this separation is kinetic; if full equilibrium is reached, the MOF is not selective. The time scales associated with this kinetic separation are sufficient to make the material potentially interesting for practical separations. The observation of kinetic separation is surprising because the MOF’s one-dimensional (1D) channels are small enough that molecular motion along the channels would be expected to take place by single-file diffusion, which is not observed. We show using a combination of experimental and modeling techniques that diffusion of molecules between adjacent 1D channels through local defects associated with coordinated water molecules allows net mixing of molecules and, moreover, that this process is potentially responsible for the selective nature of the observed kinetic separation. We show how activation and regeneration conditions play an essential role in controlling the density of these local defects.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
CTF Void Drift Validation Study
This milestone report is a summary of work performed in support of expansion of the validation and verification (V&V) matrix for the thermal-hydraulic subchannel code, CTF. The focus of this study is on validating the void drift modeling capabilities of CTF and verifying the supporting models that impact the void drift phenomenon. CTF uses a simple turbulent-diffusion approximation to model lateral cross-flow due to turbulent mixing and void drift. The void drift component of the model is based on the Lahey and Moody model. The models are a function of two-phase mass, momentum, and energy distribution in the system; therefore, it is necessary to correctly model the ow distribution in rod bundle geometry as a first step to correctly calculating the void distribution due to void drift.
97 MATHEMATICS AND COMPUTING↗
On the modeling of the scalar correlations necessary to construct a second-order closure description of turbulent reacting flows
A tentative scheme is proposed for constructing second-order closure models of turbulent reacting flows, with particular reference to mixing processes in turbulent diffusion flows. The model is based on the concepts of typical structure and typical eddy, and treats various hypothetical turbulent flame situations, including the time dependence of species mass fractions passing a point in the flame, the most typical occurrence of species mass fractions, and the case of a rather bizarre typical eddy which shows the effects of nonmixedness.
Donaldson, C. DUP.↗
Vibration characteristics of the HPOTP (High-Pressure Oxygen Turbopump) of the SSME (Space Shuttle Main Engine)
Attention is given to rotor dynamic problems that have been encountered and eliminated in the course of Space Shuttle Main Engine (SSME) development, as well as continuing, subsynchronous problems which are being encountered in the development of a 109-percent power level engine. The basic model for the SSME's High Pressure Oxygen Turbopump (HPOTP) encompasses a structural dynamic model for the rotor and housing, and component models for the liquid and gas seals, turbine clearance excitation forces, and impeller diffuser forces. Linear model results are used to examine the synchronous response and stability characteristics of the HPOTP, with attention to bearing load and stability problems associated with the second critical speed. Differences between linear and nonlinear model results are discussed and explained in terms of simple models. Simulation results indicate that while synchronous bearing loads can be reduced, subsynchronous motion is not eliminated by seal modifications.
Childs, D. W.↗
CaloTrilogy: Toward a Breakthrough in One-Step, End-to-End, Physics-Guided Shower Generation for Modern Calorimeters
High-precision calorimeter simulation at current and future colliders imposes rapidly growing computational demands, motivating the development of machine-learning surrogates for traditional Monte Carlo tools such as Geant4. Flow matching and diffusion-based generative models have become leading approaches for high-dimensional fast simulation because of their sample quality, but typically require ${\cal O}(100)$ function evaluations at inference and often rely on auxiliary networks to constrain global observables, compromising streamlined end-to-end generation. We introduce a unified framework that improves the balance between speed, shower quality, and physics fidelity. The method combines: (i) an average velocity field integrator that enables sampling in one or a few evaluations; (ii) a learned generative prior in shower space, constructed from data rather than random noise; and (iii) physics-guided loss terms that impose inductive biases on key observables during training. These elements are training time regularizers, preserving end-to-end inference with no additional cost. With only one or a few evaluation steps, the model achieves shower quality competitive with state-of-the-art flow and diffusion approaches, tested on several public high granularity calorimeter datasets. The results demonstrate inter-layer shower structure consistent with the underlying physics, providing a strong candidate for future fast simulation workflows.
Jiang, Cheng [Edinburgh U.]↗
Radial diffusion in Saturn's radiation belts - A modeling analysis assuming satellite and ring E absorption
A modeling analysis is carried out of six experimental phase space density profiles for nearly equatorially mirroring protons using methods based on the approach of Thomsen et al. (1977). The form of the time-averaged radial diffusion coefficient D(L) that gives an optimal fit to the experimental profiles is determined under the assumption that simple satellite plus Ring E absorption of inwardly diffusing particles and steady-state radial diffusion are the dominant physical processes affecting the proton data in the L range that is modeled. An extension of the single-satellite model employed by Thomsen et al. to a model that includes multisatellite and ring absorption is described, and the procedures adopted for estimating characteristic satellite and ring absorption times are defined. The results obtained in applying three representative solid-body absorption models to evaluate D(L) in the range where L is between 4 and 16 are reported, and a study is made of the sensitivity of the preferred amplitude and L dependence for D(L) to the assumed model parameters. The inferred form of D(L) is then compared with that which would be predicted if various proposed physical mechanisms for driving magnetospheric radial diffusion are operative at Saturn.
Hood, L. L.↗
GRIZZLY MODEL OF FULLY COUPLED HEAT TRANSFER, MOISTURE DIFFUSION, ALKALI-SILICA REACTION AND FRACTURING PROCESSES IN CONCRETE
Idaho National Laboratory (INL) has been developing a fully coupled thermo-hydro-mechanical-chemical (THMC) concrete model, referred as Grizzly, with the ultimate goal of reliably simulating and predicting the long-term performance of concrete structures subjected to various aging and degradation mechanisms. In this paper, we present a fully coupled concrete model implemented in our Grizzly code for simulating coupled moisture/heat transfer, stress-dependent ASR swelling and elastic/inelastic mechanics. Example simulation results and preliminary model validation results against experimental data reported in the literature will be provided also in this paper. The close matches between the simulation results and experiments clearly reveal the potential of the fully coupled solution strategy for solving tightly coupled THMC concrete models. We also present simulation results of using a rate-dependent damaging mechanics model for simulating the ASR swelling induced degradation of concrete structures and its feedback to moisture and heat transport processes.
99 GENERAL AND MISCELLANEOUS↗
Li-7 abundances in halo stars: Testing stellar evolution models and the primordial Li-7 abundance
A large number of stellar evolution models with (Fe/H) = -2.3 and -3.3 have been calculated in order to determine the primordial Li-7 abundance and to test current stellar evolution models by a comparison to the extensive database of accurate Li abundances in extremely metal-poor halo stars observed by Thorburn (1994). Standard models with gray atmospheres do a very good job of fitting the observed Li abundances in stars hotter than approximately 5600 K. They predict a primordial. Li-7 abundance of log N(Li) = 2.24 +/- 0.03. Models which include microscopic diffusion predict a downward curvature in the Li-7 destruction isochrones at hot temperatures which is not present in the observations. Thus, the observations clearly rule out models which include uninhibited microscopic diffusion of Li-7 from the surface of the star. Rotational mixing inhibits the microscopic diffusion and the (Fe/H) = -2.28 stellar models which include both diffusion and rotational mixing provide an excellent match to the mean trend in T(sub eff) which is present in the observations. Both the plateau stars and the heavily depleted cool stars are well fit by these models. The rotational mixing leads to considerable Li-7 depletion in these models and the primordial Li-7 abundance inferred from these models is log N(Li) = 3.08 +/- 0.1. However, the (Fe/H) = -3.28 isochrones reveal problems with the combined models. These isochrones predict a trend of decreasing log N(Li) with increasing T(sub eff) which is not present in the observations. Possible causes for this discrepancy are discussed.
Chaboyer, Brian↗