The oxygen partial pressure in solid oxide electrolysis cells with multilayer electrolytes
Not provided.
Materials Science↗
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Results for “Diffusion model”
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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Helium Conservation by Diffusion Limited Purging of Liquid Hydrogen Tanks
The NASA Engineering and Safety Center (NESC) has developed an analytical model that predicts diffusion between two gases during piston purging of liquid hydrogen (LH2) tanks. This model helps explain dramatic helium savings seen in a recent Kennedy Space Center (KSC) purge, shows that undesired turbulent mixing occurred in Space Shuttle External Tank purges, and is applicable to future helium purges of the Space Launch System Core Stage LH2 tanks.
Diffusion↗
A study to analyze and develop design criteria for a flight-concept prototype vapor diffusion water reclamation unit Final report, Apr. 1967 - Apr. 1968
Design criteria and mathematical model for vapor diffusion water reclamation unit
Kolnsberg, H.↗
Morphology and proton diffusion in a coarse-grained model of sulfonated poly(phenylenes)
A coarse-grained model previously used to simulate Nafion using dissipative particle dynamics (DPD) is modified to describe sulfonated Diels-Alder poly(phenylene) (SDAPP) polymers. The model includes a proton-hopping mechanism similar to the Grotthuss mechanism. The intramolecular parameters for SDAPP are derived from atomistic molecular dynamics (MD) simulation using the iterative Boltzmann inversion. The polymer radii of gyration, domain morphologies, and cluster distributions obtained from our DPD model are in good agreement with previous atomistic MD simulations. As found in the atomistic simulations, the DPD simulations predict that the SDAPP nanophase separates into hydrophobic polymer domains and hydrophilic domains that percolate through the system at sufficiently high sulfonation and hydration levels. Increasing sulfonation and/or hydration leads to larger proton and water diffusion constants, in agreement with experimental measurements in SDAPP. In the DPD simulations, the proton hopping (Grotthuss) mechanism becomes important as sulfonation and hydration increase, in qualitative agreement with experiment. The turning on of the hopping mechanism also roughly correlates with the point at which the DPD simulations exhibit clear percolated, hydrophilic domains, demonstrating the important effects of morphology on proton transport.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Multiresolution Localization with Temporal Scanning for Super-Resolution Diffuse Optical Imaging of Fluorescence
A super-resolution optical imaging method is introduced that relies on the distinct temporal information associated with each fluorescent optical reporter to determine its spatial position to high precision with measurements of heavily scattered light. This multiple-emitter localization approach uses a diffusion equation forward model in a cost function, and has the potential to achieve micron-scale spatial resolution through centimeters of tissue. Utilizing some degree of temporal separation for the reporter emissions, position and emission strength are determined using a computationally efficient time stripping multiresolution algorithm. The method circumvents the spatial resolution challenges faced by earlier optical imaging approaches using a diffusion equation forward model, and is promising for in vivo applications. For example, in principle, the approach could be used to localize individual neurons firing throughout a rodent brain, enabling direct imaging of neural network activity.
42 ENGINEERING↗
Fractal diffusion in high temperature polymer electrolyte fuel cell membranes
In this paper, the performance of fuel cells depends largely on the proton diffusion in the proton conducting membrane, the core of a fuel cell. High temperature polymer electrolyte fuel cells are based on a polymer membrane swollen with phosphoric acid as the electrolyte, where proton conduction takes place. We studied the proton diffusion in such membranes with neutron scattering techniques which are especially sensitive to the proton contribution. Time of flight spectroscopy and backscattering spectroscopy have been combined to cover a broad dynamic range. In order to selectively observe the diffusion of protons potentially contributing to the ion conductivity, two samples were prepared, where in one of the samples the phosphoric acid was used with hydrogen replaced by deuterium. The scattering data from the two samples were subtracted in a suitable way after measurement. Thereby subdiffusive behavior of the proton diffusion has been observed and interpreted in terms of a model of fractal diffusion. For this purpose, a scattering function for fractal diffusion has been developed. The fractal diffusion dimension d w and the Hausdorff dimension d f have been determined on the length scales covered in the neutron scattering experiments.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 67: Maximizing the Results of Federally-Funded Research and Development Through Knowledge Management: A Strategic Imperative for Improving US Competitiveness
Federally-funded research and development (R&D) represents a significant annual investment (approximately $79 billion in fiscal year 1996) on the part of U.S. taxpayers. Based on the results of a 10-year study of knowledge diffusion in U.S. aerospace industry, the authors take the position that U.S. competitiveness will be enhanced if knowledge management strategies, employed within a capability-enhancing U.S. technology policy framework, are applied to diffusing the results of federally-funded R&D. In making their case, the authors stress the importance of knowledge as the source of competitive advantage in today's global economy. Next, they offer a practice-based definition of knowledge management and discuss three current approaches to knowledge management implementation-mechanistic, "the learning organization," and systemic. The authors then examine three weaknesses in existing U.S. public policy and policy implementation-the dominance of knowledge creation, the need for diffusion-oriented technology policy, and the prevalence of a dissemination model- that affect diffusion of the results of federally-funded R&D. To address these shortcomings, they propose the development of a knowledge management framework for diffusing the results of federally-funded R&D. The article closes with a discussion of some issues and challenges associated with implementing a knowledge management framework for diffusing the results of federally-funded R&D.
Pinelli, Thomas E.↗
Characterization and Computational Modeling of Minor Phases in Alloy LSHR
The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.
Jou, Herng-Jeng↗
Molecular Beam Epitaxy (MBE) Growth of Model Cathodes to Study Interfacial Ion Diffusion
Lithium-ion batteries (LIBs) have been the focus of research for decades owing to their superior energy storage potential and wide range of applications. However, long-term stability issues still persist in LIB cathodes as the result of the formation of a solid electrolyte interface (SEI), structural transformations, or the loss of active cathode materials. In nanoscale cathodes, it is often impossible to isolate, let alone mitigate the causes of the observed capacity loss. Herein, a novel approach is presented to synthesizing LIB cathode model systems using thin-film molecular beam epitaxy (MBE). Specifically, 100 nm thick LiMn 2 O 4 (LMO) thin-film cathodes are grown on SrRuO 3 /SrTiO 3 (100) single-crystal substrates and characterized in their pristine and cycled states. The pristine thin films exhibit the electro-chemical cycling behavior and structural evolution previously seen in bulk LMO cathodes. The formation of surface-layer rocksalt MnO and spinel Mn 3 O 4 along with the mass-loss associated with the corrosion of active Mn ions is also reported. It is, therefore, demonstrated that these MBE-grown model systems can be used for detailed studies of their surface structures and the electrode/electrolyte interfacial evolution in LIB cathodes, leading to the development of materials for rechargeable batteries with higher capacity and better stability.
25 ENERGY STORAGE↗
Debiasing with Diffusion: Probabilistic Reconstruction of Dark Matter Fields from Galaxies with CAMELS
Abstract Galaxies are biased tracers of the underlying cosmic web, which is dominated by dark matter (DM) components that cannot be directly observed. Galaxy formation simulations can be used to study the relationship between DM density fields and galaxy distributions. However, this relationship can be sensitive to assumptions in cosmology and astrophysical processes embedded in galaxy formation models, which remain uncertain in many aspects. In this work, we develop a diffusion generative model to reconstruct DM fields from galaxies. The diffusion model is trained on the CAMELS simulation suite that contains thousands of state-of-the-art galaxy formation simulations with varying cosmological parameters and subgrid astrophysics. We demonstrate that the diffusion model can predict the unbiased posterior distribution of the underlying DM fields from the given stellar density fields while being able to marginalize over uncertainties in cosmological and astrophysical models. Interestingly, the model generalizes to simulation volumes ≈500 times larger than those it was trained on and across different galaxy formation models. The code for reproducing these results can be found athttps://github.com/victoriaono/variational-diffusion-cdm✎.
Astronomy & Astrophysics↗
Radiation-Enhanced Anion Transport in Hematite
The influence of radiation-induced (1 MeV energy H+ to ~0.1 dpa at 450°C), non-equilibrium point defect populations on mass transport is studied with an integrated campaign of experimental and theoretical methods. Using epitaxial thin films of hematite with embedded 18O tracer layers and nanoscale atom probe tomography measurements, it is shown that anion self-diffusion is enhanced by at least 2 orders of magnitude under irradiation compared to thermal diffusion alone. Complementary scanning transmission electron microscopy of vacuum annealed specimens, reveals associated microstructural changes in the oxide films, including local phase transformation to Fe3O4 and the development of nanoscale voids from vacancy coalescence. Point defect formation and migration energies were computed from density functional theory and applied within the context of chemical rate theory to analyze contributions from both interstitial and vacancy mechanisms to self-diffusion in thermal and irradiation conditions. Comparisons are made between calculated, literature and newly measured self-diffusion values, revealing good agreement on the magnitude of radiation-enhanced anion diffusion. Further, the model suggests a transition from vacancy to interstitialcy mechanisms at low temperatures and high oxygen activity, consistent with the varied activation energies reported from prior studies.
iron oxides, isotopic tracers, atom probe tomograp↗
Atomistic modeling of out-of-pile xenon diffusion by vacancy clusters in UO 2
We report that diffusion of Xe atoms in UO 2 fuel is important for nuclear fuel performance, and is enabled by interaction with U and O vacancies. Previous work using atomistic calculations based on density functional theory (DFT) and empirical potentials (EP) focused on the role of small vacancy clusters (Xe U2Oy , y = 0, 1, 2) for Xe transport, but the model predictions failed to reproduce the experimental observations by consistently underestimating Xe diffusivity. In this work, where we focused on out-of-pile conditions (i.e. in the absence of irradiation), we have explored two of the uncertainties associated with the model: the DFT methodology and the types of clusters considered. Additionally, we found that using the energy barriers obtained with GGA + U DFT allows to reconcile simulation results and experimental observations in the intrinsic regime (i.e. out-of-pile conditions). The Xe UO cluster is the preferred configuration at high temperature, while the mobile Xe U2O cluster takes over below 1720 K. The latter cluster is also the main contributor to Xe diffusion and good agreement is obtained with current models empirically fitted to experiments for diffusion at high temperature. A simple expression that captures most of Xe diffusivity is proposed, relying on Xe UO and Xe U2O clusters only. We also determined the out-of-pile concentration and diffusivity of extended clusters Xe U z O y , 3 ≤ x ≤ 9, and determined that these do not contribute significantly to the overall diffusivity under intrinsic conditions. However, we speculate that the Xe U 4 O 3 and Xe U 8 O 9 clusters, which have relatively low migration barrier, may play a role under irradiation conditions, because the radiation-induced enhanced vacancy concentration would rapidly increase the fraction of large Xe-vacancy clusters.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
A Self-Contained Mapping Closure Approximation for Scalar Mixing
Scalar turbulence exhibits interplays of coherent structures and random fluctuations over a broad range of spatial and temporal scales. This feature necessitates a probabilistic description of the scalar dynamics, which can be achieved comprehensively by using probability density functions (PDFs). Therefore, the challenge is to obtain the scalar PDFs (Lundgren 1967; Dopazo 1979). Generally, the evolution of a scalar is governed by three dynamical processes: advection, diffusion and reaction. In a PDF approach (Pope 1985), the advection and reaction can be treated exactly but the effect of molecular diffusion has to be modeled. It has been shown (Pope 1985) that the effect of molecular diffusion can be expressed as conditional dissipation rates or conditional diffusions. The currently used models for the conditional dissipation rates and conditional diffusions (Pope 1991) have resisted deduction from the fundamental equations and are unable to yield satisfactory results for the basic test cases of decaying scalars in isotropic turbulence, although they have achieved some success in a variety of individual cases. The recently developed mapping closure approach (Pope 1991; Chen, Chen & Kraichnan 1989; Kraichnan 1990; Klimenko & Pope 2003) provides a deductive method for conditional dissipation rates and conditional di usions, and the models obtained can successfully describe the shape relaxation of the scalar PDF from an initial double delta distribution to a Gaussian one. However, the mapping closure approach is not able to provide the rate at which the scalar evolves. The evolution rate has to be modeled. Therefore, the mapping closure approach is not closed. In this letter, we will address this problem.
He, Guo-Wei↗
Review and developments of dissemination models for airborne carbon fibers
Dissemination prediction models were reviewed to determine their applicability to a risk assessment for airborne carbon fibers. The review showed that the Gaussian prediction models using partial reflection at the ground agreed very closely with a more elaborate diffusion analysis developed for the study. For distances beyond 10,000 m the Gaussian models predicted a slower fall-off in exposure levels than the diffusion models. This resulting level of conservatism was preferred for the carbon fiber risk assessment. The results also showed that the perfect vertical-mixing models developed herein agreed very closely with the diffusion analysis for all except the most stable atmospheric conditions.
Elber, W.↗
Application of Monte Carlo techniques to transient thermal modeling of cavity radiometers having diffuse-specular surfaces
A viable alternative to the net exchange method of radiative analysis which is equally applicable to diffuse and diffuse-specular enclosures is presented. It is particularly more advantageous to use than the net exchange method in the case of a transient thermal analysis involving conduction and storage of energy as well as radiative exchange. A new quantity, called the distribution factor is defined which replaces the angle factor and the configuration factor. Once obtained, the array of distribution factors for an ensemble of surface elements which define an enclosure permits the instantaneous net radiative heat fluxes to all of the surfaces to be computed directly in terms of the known surface temperatures at that instant. The formulation of the thermal model is described, as is the determination of distribution factors by application of a Monte Carlo analysis. The results show that when fewer than 10,000 packets are emitted, an unsatisfactory approximation for the distribution factors is obtained, but that 10,000 packets is sufficient.
Mahan, J. R.↗
Complete quasilinear model for the acceleration-driven lower hybrid drift instability and a computational assessment of its validity
A complete quasilinear model is derived for the electrostatic acceleration-driven lower hybrid drift instability in a uniform two-species low-beta plasma in which current is perpendicular to the background magnetic field. The model consists of coupled nonlinear velocity space diffusion equations for the volume-averaged ion and electron distribution functions. Each species' diffusion coefficient depends on a time-evolving spectral density of the electric-field energy per unit volume and a time-evolving dispersion relation. The dispersion relation is expressed analytically in integral form without the use of asymptotic limits and applies to arbitrary distribution functions, so long as they can be expressed as a function of one velocity coordinate, e.g., f(vy) or f(v⊥). The quasilinear model conserves energy and is complete in that it fully describes the evolution of the distribution functions, including resonant and nonresonant particle-wave interactions, while accounting for distribution-function-dependent mixed-complex frequencies. Further, the quasilinear diffusion model is solved numerically and self-consistently using a Crank-Nicolson temporal discretization and a second-order finite-volume velocity-space discretization. Numerical solutions are compared to nonlinear fourth-order accurate continuum kinetic Vlasov-Poisson simulations. Evolution of electric-field energy, growth rates, distribution functions, and diffusion coefficients are shown to be in agreement with Vlasov simulations. The quasilinear model is shown to predict anomalous transport terms, like resistivity and heating, to within a factor of order unity. Discrepancies between the quasilinear model and Vlasov simulations are assessed and attributed primarily to lack of damping in the quasilinear description and to the use of unperturbed-orbit susceptibilities in the linear theory dispersion relation. The results illuminate the predictive accuracy of the quasilinear model, place approximate bounds on its validity, and provide much needed vetting of quasilinear theory's ability to predict the nonlinear state of a microturbulent plasma.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Maximum CO 2 diffusion inside leaves is limited by the scaling of cell size and genome size
Maintaining high rates of photosynthesis in leaves requires efficient movement of CO 2 from the atmosphere to the mesophyll cells inside the leaf where CO 2 is converted into sugar. CO 2 diffusion inside the leaf depends directly on the structure of the mesophyll cells and their surrounding airspace, which have been difficult to characterize because of their inherently three-dimensional organization. Yet faster CO 2 diffusion inside the leaf was probably critical in elevating rates of photosynthesis that occurred among angiosperm lineages. Here we characterize the three-dimensional surface area of the leaf mesophyll across vascular plants. We show that genome size determines the sizes and packing densities of cells in all leaf tissues and that smaller cells enable more mesophyll surface area to be packed into the leaf volume, facilitating higher CO 2 diffusion. Measurements and modelling revealed that the spongy mesophyll layer better facilitates gaseous phase diffusion while the palisade mesophyll layer better facilitates liquid-phase diffusion. Our results demonstrate that genome downsizing among the angiosperms was critical to restructuring the entire pathway of CO 2 diffusion into and through the leaf, maintaining high rates of CO 2 supply to the leaf mesophyll despite declining atmospheric CO 2 levels during the Cretaceous.
59 BASIC BIOLOGICAL SCIENCES↗
Cyclic oxidation of superalloys
The development of mathematical/computer models of cyclic oxidation in high-temperature alloys is described. The acceleration of oxidation attack caused by the spalling of protective oxide scales is discussed. The COREST paralinear model based on empirical data, designed by Barrett and Pressler, is found to be of limited value. Basic research on the spalling process in different alloy systems is reviewed, and the phenomenon is characterized: occurring mainly within the oxide, it is caused by the different thermal expansion coefficients of oxide and metal and is a linear function of the total retained oxide. This information has been used in the development of the discrete oxide-spall model COSP and in its modification by addition of a diffusion-zone-profile model to predict the failure of components (Heckel and Nesbitt, unpublished). The COSP model is shown to produce good predictions of cyclic oxidation under a variety of conditions, using data from simple isothermic tests.
Lowell, C. E.↗