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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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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

End Effects and Load Diffusion in Composite Structures

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Specific problems recently considered were focussed on end effects in sandwich structures and for functionally graded materials. Both linear and nonlinear (geometric and material) problems have been addressed. Our goal is the development of readily applicable design formulas for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies.

Horgan, Cornelius O.↗
NASA NTRS2006

pH Sensitive Microcapsules for Delivery of Corrosion Inhibitors

A considerable number of corrosion problems can be solved by coatings. However, even the best protective coatings can fail by allowing the slow diffusion of oxygen and moisture to the metal surface. Corrosion accelerates when a coating delaminates. Often, the problems start when microscopic nicks or pits on the surface develop during manufacturing or through wear and tear. This problem can be solved by the incorporation of a self-healing function into the coating. Several new concepts are currently under development to incorporate this function into a coating. Conductive polymers, nanoparticles, and microcapsules are used to release corrosion-inhibiting ions at a defect site. The objective of this investigation is to develop a smart coating for the early detection and inhibition of corrosion. The dual function of this new smart coating system is performed by pH-triggered release microcapsules. The microcapsules can be used to deliver healing agents to terminate the corrosion process at its early stage or as corrosion indicators by releasing dyes at the localized corrosion sites. The dyes can be color dyes or fluorescent dyes, with or without pH sensitivity. Microcapsules were formed through the interfacial polymerization process. The average size of the microcapsules can be adjusted from 1 to 100 micron by adjusting the emulsion formula and the microcapsule forming conditions. A typical microcapsule size is around 10 microns with a narrow size distribution. The pH sensitivity of the microcapsule can also be controlled by adjusting the emulsion formula and the polymerization reaction time. Both corrosion indicator (pH indicator) and corrosion inhibitor containing microcapsules were formed and incorporated into paint systems. Test panels of selected steels and aluminum alloys were painted using these paints. Testing of compatibility between the microcapsule system and different paint systems are in progress. Initial experiments with the microcapsule containing paint show visible color changes at induced corrosion sites and improvement of corrosion protection. Further investigation of the performance of the coating using electrochemical techniques and long term exposure are currently underway.

Li, Wenyan↗
NASA NTRS2000

Triaxial Burke-Schumann Flames with Applications to Flame Synthesis

The problem of a flame generated by three coaxial flows is solved by extending the Burke-Schumann methodology to include a third stream. The solution is particularly relevant to flame synthesis wherein multiple tubes are often employed either to introduce inert as a diffusion barrier or to introduce more than two reactants. The general problem is solved where the inner and outer tubes contain reactants and the middle tube contains either an inert or a third reactant. Relevant examples are considered and the results show that the triaxial Burke-Schumann flame can be substantially more complicated than the traditional Burke-Schumann flame. When the middle flow is inert the flame temperature is no longer constant but increases axially, reaching a maximum at the flame centerline. At the exit the flame does not sit on the tube exit but instead resides between the inner and outer tubes, resulting in an effective barrier for particle build-up on the burner rim. For the case of a third reactant in the middle flow, synthesis chemistry where the inner reaction is endothermic and the outer reaction is exothermic is considered. In addition to showing the flame temperature and flame shape, the results identify conditions wherein reaction is not possible due to insufficient heat transfer from the outer flame to support the inner flame reaction.

Chao, B. H.↗
DOE OSTI2020

Solid 3D Li–S Battery Design via Stacking 2D Conductive Microporous Coordination Polymers and Amorphous Li–S Layers

To make a lithium-sulfur (Li-S) battery practical, not only high gravimetric energy capacity is important, but also high volumetric energy capacity will be required. The currently explored Li-S cathode designs often deploy systems with liquid electrolyte infiltration, hence with relatively low volumetric capacity. In the current study, we theoretically test a compact solid three-dimensional (3D) design (more like a Li-ion battery cathode than a conventional Li-S cathode) consisted of a sandwich structure alternating between the two-dimensional (2D) Mn-hexaaminobenzene-based coordination polymer (2D Mn-HAB-CP) layer and the amorphous Li-S layer. We study the theoretical limits for both its gravimetric and volumetric energy capacity, as well as its structural stability and Li diffusion within the cathode system. To study the Li diffusion within an amorphous system, we also develop a pull-atom molecular dynamics (PA-MD) to calculate the barrier heights of such disordered systems. We reveal the mechanism that determines the Li diffusion in the amorphous layer of the system. Overall, we find such a 3D solid Li-S cathode can be practical, with sufficient large gravimetric and volumetric energy capacity, as well as the Li diffusion constant. It also solves many other common Li-S cathode problems, from Li polysulfide dissolution to electrical insulating, and structure instabilities.

25 ENERGY STORAGE↗
DOE OSTI2023

Reinforcement Learning-Guided Long-Timescale Simulation of Hydrogen Transport in Metals

Diffusion in alloys is an important class of atomic processes. However, atomistic simulations of diffusion in chemically complex solids are confronted with the timescale problem: the accessible simulation time is usually far shorter than that of experimental interest. In this work, long-timescale simulation methods are developed using reinforcement learning (RL) that extends simulation capability to match the duration of experimental interest. Two special limits, RL transition kinetics simulator (TKS) and RL low-energy states sampler (LSS), are implemented and explained in detail, while the meaning of general RL are also discussed. As a testbed, hydrogen diffusivity is computed using RL TKS in pure metals and a medium entropy alloy, CrCoNi, and compared with experiments. The algorithm can produce counter-intuitive hydrogen-vacancy cooperative motion. We also demonstrate that RL LSS can accelerate the sampling of low-energy configurations compared to the Metropolis–Hastings algorithm, using hydrogen migration to copper (111) surface as an example.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Determination of the Ability to Measure Traces of Water in Dehydrated Residues of Waste Water by IR Diffuse Reflectance Spectra

Rapid measurement of the moisture content of dehydrated residues is a critical problem, the solution of which will increase the efficiency of treatment facilities and optimize the process of applying flocculants. The ability to determine the moisture content of dehydrated residues using a meter operating on the IR reflectance principle was confirmed experimentally. The most suitable interference filters were selected based on an analysis of the obtained diffuse reflectance spectrum of the dehydrated residue in the range 1.0–2.7 μm. Calibration curves were constructed and compared for each filter set. A measuring filter with a transmittance maximum at 1.19 μm and a reference filter with a maximum at 1.3 μm gave the best agreement with the laboratory measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Galactic civilizations - Population dynamics and interstellar diffusion

A model is developed of the interstellar diffusion of galactic civilizations which takes into account the population dynamics of such civilizations. The problem is formulated in terms of potential theory, with a family of nonlinear partial differential and difference equations specifying population growth and diffusion for an organism with advantageous genes that undergoes random dispersal while increasing in population locally, and a population at zero population growth. In the case of nonlinear diffusion with growth and saturation, it is found that the colonization wavefront from the nearest independently arisen galactic civilization can have reached the earth only if its lifetime exceeds 2.6 million years, or 20 million years if discretization can be neglected. For zero population growth, the corresponding lifetime is 13 billion years. It is concluded that the earth is uncolonized not because interstellar spacefaring civilizations are rare, but because there are too many worlds to be colonized in the plausible colonization lifetime of nearby civilizations, and that there exist no very old galactic civilizations with a consistent policy of the conquest of inhabited worlds.

Newman, W. I.↗
DOE OSTI2018

Quantum Transmission Conditions for Diffusive Transport in Graphene with Steep Potentials

We present a formal derivation of a drift-diffusion model for stationary electron transport in graphene, in presence of sharp potential profiles, such as barriers and steps. Assuming the electric potential to have steep variations within a strip of vanishing width on a macroscopic scale, such strip is viewed as a quantum interface that couples the classical regions at its left and right sides. In the two classical regions, where the potential is assumed to be smooth, electron and hole transport is described in terms of semiclassical kinetic equations. The diffusive limit of the kinetic model is derived by means of a Hilbert expansion and a boundary layer analysis, and consists of drift-diffusion equations in the classical regions, coupled by quantum diffusive transmission conditions through the interface. The boundary layer analysis leads to the discussion of a four-fold Milne (half-space, half-range) transport problem.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Ensemble flow reconstruction in the atmospheric boundary layer from spatially limited measurements through latent diffusion models

Due to costs and practical constraints, field campaigns in the atmospheric boundary layer typically only measure a fraction of the atmospheric volume of interest. Machine learning techniques have previously successfully reconstructed unobserved regions of flow in canonical fluid mechanics problems and two-dimensional geophysical flows, but these techniques have not yet been demonstrated in the three-dimensional atmospheric boundary layer. Here, we conduct a numerical analogue of a field campaign with spatially limited measurements using large-eddy simulation. We pose flow reconstruction as an inpainting problem, and reconstruct realistic samples of turbulent, three-dimensional flow with the use of a latent diffusion model. The diffusion model generates physically plausible turbulent structures on larger spatial scales, even when input observations cover less than 1% of the volume. Through a combination of qualitative visualization and quantitative assessment, we demonstrate that the diffusion model generates meaningfully diverse samples when conditioned on just one observation. These samples successfully serve as initial conditions for a large-eddy simulation code. We find that diffusion models show promise and potential for other applications for other turbulent flow reconstruction problems.

17 WIND ENERGY↗
DOE OSTI2018

Averaging Principle for the Higher Order Nonlinear Schrödinger Equation with a Random Fast Oscillation

This work concerns the problem associated with averaging principle for a higher order nonlinear Schrödinger equation perturbed by a oscillating term arising as the solution of a stochastic reaction–diffusion equation evolving with respect to the fast time. This model can be translated into a multiscale stochastic partial differential equations. Stochastic averaging principle is a powerful tool for studying qualitative analysis of stochastic dynamical systems with different time-scales. To be more precise, under suitable conditions, we prove that there is a limit process in which the fast varying process is averaged out and the limit process which takes the form of the higher order nonlinear Schrödinger equation is an average with respect to the stationary measure of the fast varying process. Finally, by using the Khasminskii technique we can obtain the rate of strong convergence for the slow component towards the solution of the averaged equation, and as a consequence, the system can be reduced to a single higher order nonlinear Schrödinger equation with a modified coefficient.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Bayesian sequential optimal experimental design for nonlinear models using policy gradient reinforcement learning

We present a mathematical framework and computational methods for optimally designing a finite sequence of experiments. This sequential optimal experimental design (sOED) problem is formulated as a finite-horizon partially observable Markov decision process (POMDP) under a Bayesian setting and with information-theoretic utilities. The formulation is general and may accommodate continuous random variables, non-Gaussian posteriors, and nonlinear forward models. The sOED design policy incorporates elements of feedback and lookahead simultaneously, and we show it to generalize the commonly-used batch and greedy design strategies. We solve for the sOED policy using the policy gradient (PG) method from reinforcement learning, and provide a derivation for the PG expression in the sOED context. Adopting an actor-critic approach, the policy and value functions are parameterized using deep neural networks and improved via PG estimates produced from simulated episodes of designs and observations. The new PG-sOED algorithm is first validated on a linear-Gaussian benchmark, and then compared against other design baselines on a sensor movement problem for contaminant source inversion in a convection-diffusion field. As a result, we provide explanation for the policy behaviors using knowledge of the underlying physical process.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Linear stability analysis of two fluid columns of different densities and viscosities in a gravity field

The linear stability of a vertical interface separating two miscible fluid columns of different densities and viscosities under the influence of gravity is investigated. This flow possesses a time-dependent reference state (each column accelerates at different rates owing to their different densities) and the interface thickness grows as the square root of time (by diffusion). Numerical integration of the linear initial-value problem is carried out and discussed in detail as a function of vertical and spanwise wavenumbers and the flow parameters. Adjoint-based optimization is performed in order to determine initial conditions that lead to maximum growth of disturbances in finite time. Results indicate that the rate of growth of the perturbation energy at small wavenumbers (less affected by viscosity initially) is dominated by two-dimensional modes (no spanwise variation). Substantial transient growth is observed at higher wave modes initially, followed by asymptotic decay of the perturbations at large time. Sensitivity of perturbation growth with respect to initial time, density and viscosity ratios is investigated. This work is complementary to previous inviscid analysis of this configuration, which showed that the interface was unconditionally unstable at all wave modes, even in the presence of surface tension, and that instability grew as the exponential of time squared.

Mechanics↗
DOE OSTI2015

Reducing the Spatial Discretization Error of Thermal Emission in Implicit Monte Carlo Simulations

Implicit Monte Carlo simulations of thermal radiative transport can exhibit what is known as teleportation error in problems with strong coupling between radiation and matter. Teleportation error occurs when energy deposited in a localized region of a spatial zone is emitted throughout the zone in the next time step. Teleportation error is commonly reduced by biasing the positions of photon thermal emission using a fit to the spatial distribution of temperature to the fourth power. The current work samples and stores locations along photon paths based on absorption probabilities. These locations are used as sites for emission in the subsequent time step. This method of teleportation correction is demonstrated in several sample problems, and is validated against an Implicit Monte Carlo Diffusion Method, which does not exhibit teleportation error. We report the new method reduces teleportation error relative to the source tilting method, and enables the use of lower spatial resolutions than would be required to mitigate teleportation error using the source tilting method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Fingering convection induced by atomic diffusion in stars: 3D numerical computations and applications to stellar models

Iron-rich layers are known to form in the stellar subsurface through a combination of gravitational settling and radiative levitation. Their presence, nature, and detailed structure can affect the excitation process of various stellar pulsation modes and must therefore be modeled carefully in order to better interpret Kepler asteroseismic data. In this paper, we study the interplay between atomic diffusion and fingering convection in A-type stars, as well as its role in the establishment and evolution of iron accumulation layers. To do so, we use a combination of three-dimensional idealized numerical simulations of fingering convection (which neglect radiative transfer and complex opacity effects) and one-dimensional realistic stellar models. Using the three-dimensional simulations, we first validate the mixing prescription for fingering convection recently proposed by Brown et al. (within the scope of the aforementioned approximation) and identify what system parameters (total mass of iron, iron diffusivity, thermal diffusivity, etc.) play a role in the overall evolution of the layer. We then implement the Brown et al. prescription in the Toulouse-Geneva Evolution Code to study the evolution of the iron abundance profile beneath the stellar surface. We find, as first discussed by Théado et al., that when the concurrent settling of helium is ignored, this accumulation rapidly causes an inversion in the mean molecular weight profile, which then drives fingering convection. The latter mixes iron with the surrounding material very efficiently, and the resulting iron layer is very weak. However, taking helium settling into account partially stabilizes the iron profile against fingering convection, and a large iron overabundance can accumulate. The opacity also increases significantly as a result, and in some cases it ultimately triggers dynamical convection. The direct effects of radiative acceleration on the dynamics of fingering convection (especially in the nonlinear regime) remain to be added in the future to improve the quantitative predictions of the model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Turbulence-level dependence of cosmic ray parallel diffusion

ABSTRACT Understanding the transport of energetic cosmic rays belongs to the most challenging topics in astrophysics. Diffusion due to scattering by electromagnetic fluctuations is a key process in cosmic ray transport. The transition from a ballistic to a diffusive-propagation regime is presented in direct numerical calculations of diffusion coefficients for homogeneous magnetic field lines subject to turbulent perturbations. Simulation results are compared with theoretical derivations of the parallel diffusion coefficient’s dependences on the energy and the fluctuation amplitudes in the limit of weak turbulence. The present study shows that the widely used extrapolation of the energy scaling for the parallel diffusion coefficient to high turbulence levels predicted by quasi-linear theory does not provide a universally accurate description in the resonant-scattering regime. It is highlighted here that the numerically calculated diffusion coefficients can be polluted for low energies due to missing resonant interaction possibilities of the particles with the turbulence. Five reduced-rigidity regimes are established, which are separated by analytical boundaries derived in this work. Consequently, a proper description of cosmic ray propagation can only be achieved by using a turbulence-level-dependent diffusion coefficient and can contribute to solving the Galactic cosmic ray gradient problem.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

A simple model of the effect of ocean ventilation on ocean heat uptake

Presentation includes slides on Earth System Models vs. Simple Climate Models; A Popular SCM: Energy Balance Model of Anomalies; On calibrating against one ESM experiment, the SCM correctly captures that ESM's surface warming response with other forcings; Multi-Model Analysis: Multiple ESMs, Single SCM; Posterior Distributions of ECS; However In Excess of 90% of TOA Energy Imbalance is Sequestered in the World Oceans; Heat Storage in the Two Layer Model; Heat Storage in the Two Layer Model; Including TOA Rad. Imbalance and Ocean Heat in Calibration Improves Repr., but Significant Errors Persist; Improved Vertical Resolution Does Not Fix Problem; A Series of Expts. Confirms That Anomaly-Diffusing Models Cannot Properly Represent Ocean Heat Uptake; Physics of the Thermocline; Outcropping Isopycnals and Horizontally-Averaged Layers; Local interactions between outcropping isopycnals leads to non-local interactions between horizontally-averaged layers; Both Surface Warming and Ocean Heat are Well Represented With Just 4 Layers; A Series of Expts. Confirms That When Non-Local Interactions are Allowed, the SCMs Can Represent Both Surface Warming and Ocean Heat Uptake; and Summary and Conclusions.

58 GEOSCIENCES↗
DOE OSTI2018

Electric-Loading Enhanced Kinetics in Oxide Ceramics: Pore Migration, Sintering and Grain Growth: Final Report

Solid oxide fuel cells and solid oxide electrolysis cells rely on solid electrolytes in which a large ionic current dominates. This project was initiated to investigate microstructural changes in such devices under electrochemical forces, because nominally insignificant processes may couple to the large ionic current to yield non-equilibrium phenomena that alter the microstructure. Our studies had focused on yttria-stabilized cubic zirconia (YSZ) widely used in these devices. The experiments have revealed enhanced grain growth at higher temperatures, pore and gas bubble migration at all temperatures, and the latter also lead to enhanced sintering of highly porous ceramics into fully dense ceramics at unprecedentedly low temperatures. These results have shed light on kinetic processes that fall completely outside the realm of classical ceramic processing. Other fast-oxygen oxide ceramics closely related to, and often used in conjunction with zirconia ceramics, have also be investigated, as are closely related scientific problems in zirconia ceramics. These include crystal structures, defects, diffusion kinetics, oxygen potentials, low temperature sintering, flash sintering, and coarsening theory, and all have resulted in greater clarity in scientific understanding. The knowledge is leveraged to provide new insight to electrode kinetics and near-electrode mixed conductivity and to new materials. In the following areas, our research has resulted in completely new knowledge that defines the state-of-the-art of the field. (a) Electrical current driven non-equilibrium phenomena, (b) Enhanced grain growth under electrochemically reducing conditions, (c) Development of oxygen potential polarization in electrically loaded electrolyte, (d) Low temperature sintering and grain growth, and (e) Structure, defects and cation kinetics of fluorite-structured oxides. Our research has also contributed to synthesis of new energy-relevant electrochemical materials and new understanding of flash sintering, which is a rapid sintering process initiated by a large electrical loading.

36 MATERIALS SCIENCE↗