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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Toward Multi-scale Modeling and simulation of conduction in heterogeneous materials

This report summarizes a project in which the authors sought to develop and deploy: (i) experimental techniques to elucidate the complex, multiscale nature of thermal transport in particle-based materials; and (ii) modeling approaches to address current challenges in predicting performance variability of materials (e.g., identifying and characterizing physical- chemical processes and their couplings across multiple length and time scales, modeling information transfer between scales, and statically and dynamically resolving material structure and its evolution during manufacturing and device performance). Experimentally, several capabilities were successfully advanced. As discussed in Chapter 2 a flash diffusivity capability for measuring homogeneous thermal conductivity of pyrotechnic powders (and beyond) was advanced; leading to enhanced characterization of pyrotechnic materials and properties impacting component development. Chapter 4 describes success for the first time, although preliminary, in resolving thermal fields at speeds and spatial scales relevant to energetic components. Chapter 7 summarizes the first ever (as far as the authors know) application of TDTR to actual pyrotechnic materials. This is the first attempt to actually characterize these materials at the interfacial scale. On the modeling side, new capabilities in image processing of experimental microstructures and direct numerical simulation on complicated structures were advanced (see Chapters 3 and 5). In addition, modeling work described in Chapter 8 led to improved prediction of interface thermal conductance from first principles calculations. Toward the second point, for a model system of packed particles, significant headway was made in implementing numerical algorithms and collecting data to justify the approach in terms of highlighting the phenomena at play and pointing the way forward in developing and informing the kind of modeling approach originally envisioned (see Chapter 6). In both cases much more remains to be accomplished.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Submerged Medium Voltage Cable Systems at Nuclear Power Plants: A Review of Research Efforts Relevant to Aging Mechanisms and Condition Monitoring

In a submerged environment, power cables may experience accelerated insulation degradation due to water-related aging mechanisms. Direct contact with water or moisture intrusion in the cable insulation system has been identified in the literature as a significant aging stressor that can affect performance and lifetime of electric cables. Progressive reduction of the dielectric strength is commonly a result of water treeing which involves the development of permanent hydrophilic structures in the insulation coinciding with the absorption of water into the cable. Water treeing is a phenomenon in which dendritic microvoids are formed in electric cable insulation due to electrochemical reactions, electromechanical forces, and diffusion of contaminants over time. These reactions are caused by the combined effects of water presence and high electrical stresses in the material. Water tree growth follows a tree-like branching pattern, increasing in volume and length over time. Although these cables can be “dried out,” water tree degradation, specifically the growth of hydrophilic regions, is believed to be permanent and typically worsens over time. Based on established research, water treeing or water induced damage can occur in a variety of electric cables including XLPE, TR-XLPE and other insulating materials, such as EPR and butyl rubber. Once water trees or water induced damage form, the dielectric strength of an insulation material will decrease gradually with time as the water trees grow in length, which could eventually result in failure of the insulating material. Under wet conditions or in submerged environments, several environmental and operational parameters can influence water tree initiation and affect water tree growth. These parameters include voltage cycling, field frequency, temperature, ion concentration and chemistry, type of insulation material, and the characteristics of its defects. In this effort, a review of academic and industrial literature was performed to identify: 1) findings regarding the degradation mechanisms of submerged cabling and 2) condition monitoring methods that may prove useful in predicting the remaining lifetime of submerged medium voltage power cables. The research was conducted by a multi-disciplinary team, and sources included official NRC reports, national laboratory reports, IEEE standards, conference and journal proceedings, magazine articles, PhD dissertations, and discussions with experts. The purpose of this work was to establish the current state-of-the-art in material degradation modeling and cable condition monitoring techniques and to identify research gaps. Subsequently, future areas of focus are recommended to address these research gaps and thus strengthen the efficacy of the NRC’s developing cable condition monitoring program. Results of this literature review and details of the testing recommendations are presented in this report.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1974

The differential rotation of the solar surface

The large-scale flow in the solar convection zone is discussed. The objective is to deduce from observation the principal physical balances in the governing equations. The simplest set of equations that seem potentially realistic are utilized. It is assumed that magnetic fields are negligible, that mixing-length theory gives an accurate representation of the mean structure, and that rigid-body rotation exists at the base. It is deduced that the zonal glow is geostrophic, the meridional flow is controlled by friction, and diffusive heating balances advective cooling due to vertical motion. Next, a detailed calculation of the latitude profile of surface angular velocity is performed, based on approximate equations containing only the principal balances, and agrees well with observation. Finally, it is demonstrated that the amplitude of the flow may be determined by the constraint that the net equatorward angular momentum flux vanish. The conclusions are consistent with the hypothesis that the flow is primarily a single large axisymmetric convection cell in each hemisphere.

Gierasch, P. J.↗
NASA NTRS1993

HST imaging of hydrogen-poor ejecta in Abell 30 and Abell 78 - Wind-blown cometary structures

HST Faint Object Camera images of hydrogen-poor gas in the planetary nebulae A30 and A78 have revealed remarkable 'cometary' structures in the O III 5007-A forbidden line. Most of these cometary structures, consisting of compact (0.15-0.5 arcsec) knots with radial tails several arcsec in length, are located in an equatorial plane in both nebulae. In addition, two bright, compact (0.3 arcsec) polar knots are present in A30, one of them forming a bow shock. Corresponding polar features in A78 are more diffuse. The central stars of both nebulae have energetic winds which are most likely responsible for the 'cometary' knot morphology. We interpret this morphology in terms of dense (several thousand electrons per cu cm) H-poor condensations whose outer expanding layers are swept outward by stellar winds. Photoionization modeling indicates that while dense knot cores are mostly heated by atomic photoionization, expanding tenuous gas is heated by photoelectrons ejected from abundant dust grains. Our models predict steep temperature gradients for which there is observational evidence and possible abrupt phase transitions in the expanding gas.

Borkowski, Kazimierz J.↗
NASA NTRS2006

Computer Simulation of Fracture in Aerogels

Aerogels are of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While the gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. In this work, we investigate the strength and fracture behavior of silica aerogels using a molecular statics-based computer simulation technique. The gels' structure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) algorithm, which produces fractal structures representing experimentally observed aggregates of so-called secondary particles, themselves composed of amorphous silica primary particles an order of magnitude smaller. We have performed multi-length-scale simulations of fracture in silica aerogels, in which the interaction b e e n two secondary particles is assumed to be described by a Morse pair potential parameterized such that the potential range is much smaller than the secondary particle size. These Morse parameters are obtained by atomistic simulation of models of the experimentally-observed amorphous silica "bridges," with the fracture behavior of these bridges modeled via molecular statics using a Morse/Coulomb potential for silica. We consider the energetics of the fracture, and compare qualitative features of low-and high-density gel fracture.

Good, Brian S.↗
DOE OSTI2014

Turbulent pitch-angle scattering and diffusive transport of hard X-ray-producing electrons in flaring coronal loops

Recent observations from RHESSI have revealed that the number of non-thermal electrons in the coronal part of a flaring loop can exceed the number of electrons required to explain the hard X-ray-emitting footpoints of the same flaring loop. Such sources cannot, therefore, be interpreted on the basis of the standard collisional transport model, in which electrons stream along the loop while losing their energy through collisions with the ambient plasma; additional physical processes, to either trap or scatter the energetic electrons, are required. Motivated by this and other observations that suggest that high-energy electrons are confined to the coronal region of the source, we consider turbulent pitch-angle scattering of fast electrons off low-frequency magnetic fluctuations as a confinement mechanism, modeled as a spatial diffusion parallel to the mean magnetic field. In general, turbulent scattering leads to a reduction of the collisional stopping distance of non-thermal electrons along the loop, and hence to an enhancement of the coronal hard X-ray source relative to the footpoints. The variation of source size L with electron energy E becomes weaker than the quadratic behavior pertinent to collisional transport, with the slope of L(E) depending directly on the mean free path λ associated with the non-collisional scattering mechanism. Comparing the predictions of the model with observations, we find that λ ∼ (10{sup 8}-10{sup 9}) cm for ∼30 keV, less than the length of a typical flaring loop and smaller than, or comparable to, the size of the electron acceleration region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Thermodynamics, Kinetics and Structural Evolution of ε-LiVOPO 4 over Multiple Lithium Intercalation

ε -Li x VOPO 4 is a promising multi-electron cathode for rechargeable lithium-ion bat- teries that has an extremely high theoretical capacity of 318 mAh/g. In this w ork, we demonstrate the stable cycling of more than one Li in solid-state-syn thesized ε - LiVOPO 4 over more than 20 cycles for the first time. Using a combination of densit y functional theory (DFT) calculations, X-ray pair distribution funct ion (PDF) analy- sis and X-ray Absorption Near Edge Structure (XANES) measurements, we pre sent a comprehensive analysis of the thermodynamics, kinetics and stru ctural evolution of ε -Li x VOPO 4 over the entire lithiation range. We identify two intermediate ph ases at x = 1 . 5 and 1.75 in the low-voltage regime using DFT calculations, and the comput ed and electrochemically measured voltage profiles are in excellent agree ment. Operando PDF techniques show a reversible hysteretic change in the short ( < 2° A) V-O bond lengths coupled with an irreversible extension of the long V-O bond ( > 2.4 °A) dur- ing low-voltage cycling. These observations are confirmed with EXAFS spe ctra. We identify hydrogen intercalation from the electrolyte decomposition as a likely explana- tion for the ~ 2 . 4°A V-O bond and its irreversible extension. In terms of electronic conductivity, we find Li x VOPO 4 to be a large band gap insulator across the entire lithiation range, and calculated small polaron migration barriers are similar to those of the olivine LiMPO 4 cathodes. Finally, we demonstrate that ε -LiVOPO 4 is likely to be a one-dimensional diffuser using climbing-image nudged elastic ban d calculations. These results highlight the importance of nano-sizing and carbon coating in achieving good electrochemical performance in this material.

Lin, Yuh-Chieh↗
DOE OSTI2026

Temporal and spatial separations between spin glass and short-range order

Broken-symmetry-induced order parameters account for many phenomena in physics. For spin glasses, this framework dictates the theoretical construction, whereas experiments have only established dynamical behaviors but not the physical entity. Experimental techniques have limitations when the spin glass is probed as an isolated state. Here, we create an evolution from a long-range order using well-controlled non-magnetic substitution on a sublattice. Neutron magnetic diffuse scattering of pico-second timescale reveals that the dynamics of short- and long-range order formation are not affected by disorder, but their spatial ranges are. Across all specimens, the inflection point of spin correlation length’s temperature dependence fully matches with the peak in heat capacity, while spin glass can freeze at millisecond timescale either above or below this characteristic temperature of spin-order formation. Our results identify the spin glass as single, uncorrelated spins at domain walls between spin clusters, and an uncorrelated coexistence of the two.

Dronova, Margarita G [Okinawa Institute of Science↗
NASA NTRS1977

Characteristics of laminar gas jet diffusion flames under the influence of elevated gravity

Laminar gas jet diffusion flames of hydrogen, methane, ethane, and propane, stabilized on small cylindrical burners, were studied at elevated gravity in a centrifuge to investigate the role of buoyancy in such flames. Photographic observation of the hydrocarbon flames indicated that length and carbon luminosity decreased with increasing buoyancy. These flames eventually separated from the burner rim and finally extinguished as gravity increased. Hydrogen flames, however, did not separate or extinguish up to about 31 times earth normal gravity. Length data are reported and interpreted with the aid of a simplified model which describes the flame as a heated vertical cylindrical sheet to which oxygen is supplied by a free convection boundary layer.

Altenkirch, R. A.↗
NASA NTRS1981

Seismic codas on the earth and the moon - A comparison

The seismic codas, representing that part of the seismogram following the arrival of the surface waves or the direct S waves, characteristic of the earth and moon are compared with regard to the implications of coda characteristics for scattering and attenuation. Scattering models based on single S-S scatter theory, in which seismic energy in the coda is assumed to be S waves that have undergone only one scattering without conversion, and on diffusion theory, which assumed that energy in the coda has been scattered many times, are examined, and situations where the single-scattering and multiple-scattering theories are applicable are distinguished by the ratio of attenuation distance to the scattering mean free path. Values of the attenuation distance and the mean free path derived from coda studies for the earth and moon are compared, and it is found that for the frequency range 0.5-10 Hz, diffusion scattering is important in lunar codas, while at frequencies from 1 to 25 Hz single scattering is important in terrestrial codas. It is pointed out that attenuation acts to eliminate scattering paths much longer than the attenuation length. The observed differences between terrestrial and lunar codas are thus attributed to lesser attenuation and greater scattering on the moon.

Dainty, A. M.↗
NASA NTRS1985

Pitch Angle Distributions of Solar Energetic Particles and the Local Scattering Properties of the Interplanetary Magnetic Field

An approximate solution of the Fokker-Planck equation containing pitch angle scattering and adiabatic focusing is discussed. For modest focusing effects the omnidirectional density obeys an ordinary diffusion equation with a modified diffusion coefficient. The anisotropic part of the distribution function is properly normalized and split into an even and an odd part. The even part is determined by the ratio between the scattering mean free path and the focusing length and by the degree of polarization of the magnetic field fluctuations. The odd part is determined by the deviation of the pitch angle scattering from isotropic scattering. The method supplies a powerful tool to obtain the local characteristics of pitch angle scattering. It is insensitive to long lasting solar injections and to moderate radial variations of the mean free path. The method is applied to solar particle events observed on Helio-1 and -2.

Beeck, J.↗
DOE OSTI2014

Non-ideal magnetohydrodynamic simulations of the two-stage fragmentation model for cluster formation

We model molecular cloud fragmentation with thin-disk, non-ideal magnetohydrodynamic simulations that include ambipolar diffusion and partial ionization that transitions from primarily ultraviolet-dominated to cosmic-ray-dominated regimes. These simulations are used to determine the conditions required for star clusters to form through a two-stage fragmentation scenario. Recent linear analyses have shown that the fragmentation length scales and timescales can undergo a dramatic drop across the column density boundary that separates the ultraviolet- and cosmic-ray-dominated ionization regimes. As found in earlier studies, the absence of an ionization drop and regular perturbations leads to a single-stage fragmentation on pc scales in transcritical clouds, so that the nonlinear evolution yields the same fragment sizes as predicted by linear theory. However, we find that a combination of initial transcritical mass-to-flux ratio, evolution through a column density regime in which the ionization drop takes place, and regular small perturbations to the mass-to-flux ratio is sufficient to cause a second stage of fragmentation during the nonlinear evolution. Cores of size ∼0.1 pc are formed within an initial fragment of ∼pc size. Regular perturbations to the mass-to-flux ratio also accelerate the onset of runaway collapse.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Additive manufacturing of functionally graded transition joints between ferritic and austenitic alloys

Dissimilar metal joints between ferritic and austenitic alloys are susceptible to premature failure due to diffusive carbon loss from the ferritic alloy driven by abrupt changes in carbon chemical potential. Compositional grading of transition joints fabricated using laser-based directed energy deposition additive manufacturing offers a means for limiting carbon diffusion. In this report we fabricate functionally graded transition joints between a ferritic and austenitic alloy, characterize spatial variations of chemical composition, microstructure and hardness, and test their effectiveness to limit carbon loss from the ferritic alloy. Microstructural studies and carbon potential variations in the functionally graded material showed that the length of the joints can be shorter, and there is no benefit to continue compositional grading once the microstructure becomes fully austenitic. Since dissimilar joints have an expected lifetime of several decades, long service times were simulated through accelerated heat treatment experiments at elevated temperatures for both a dissimilar metal weld and a functionally graded transition joint. While the dissimilar weld showed pronounced carbon loss from the ferritic side, there was insignificant change in the carbon concentration profile in the functionally graded joint indicating effectiveness of the graded joints to perform under service conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Self-similar solutions for multi-species plasma mixing by gradient driven transport

We report that multi-species transport of plasma ions across an initial interface between DT and CH is shown to exhibit self-similar species density profiles under 1D isobaric conditions. Results using transport theory from recent studies and using a Maxwell–Stephan multi-species approximation are found to be in good agreement for the self-similar mix profiles of the four ions under isothermal and isobaric conditions. The individual ion species mass flux and molar flux profile results through the mixing layer are examined using transport theory. The sum over species mass flux is confirmed to be zero as required, and the sum over species molar flux is related to a local velocity divergence needed to maintain pressure equilibrium during the transport process. The light ion species mass fluxes are dominated by the diagonal coefficients of the diffusion transport matrix, while for the heaviest ion species (C in this case), the ion flux with only the diagonal term is reduced by about a factor two from that using the full diffusion matrix, implying the heavy species moves more by frictional collisions with the lighter species than by its own gradient force. Temperature gradient forces were examined by comparing profile results with and without imposing constant temperature gradients chosen to be of realistic magnitude for ICF experimental conditions at a fuel-capsule interface (10 μm scale length or greater). The temperature gradients clearly modify the relative concentrations of the ions, for example near the fuel center, however the mixing across the fuel-capsule interface appears to be minimally influenced by the temperature gradient forces within the expected compression and burn time. Finally, discussion considers the application of the self-similar profiles to specific conditions in ICF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Understanding the ignition mechanism of high-pressure spray flames

A conceptual model for turbulent ignition in high-pressure spray flames is presented. The model is motivated by first-principles simulations and optical diagnostics applied to the Sandia n-dodecane experiment. The Lagrangian flamelet equations are combined with full LLNL kinetics (2755 species; 11,173 reactions) to resolve all time and length scales and chemical pathways of the ignition process at engine-relevant pressures and turbulence intensities unattainable using classic DNS. The first-principles value of the flamelet equations is established by a novel chemical explosive mode-diffusion time scale analysis of the fully-coupled chemical and turbulent time scales. Contrary to conventional wisdom, this analysis reveals that the high Damköhler number limit, a key requirement for the validity of the flamelet derivation from the reactive Navier–Stokes equations, applies during the entire ignition process. Corroborating Rayleigh-scattering and formaldehyde PLIF with simultaneous schlieren imaging of mixing and combustion are presented. Our combined analysis establishes a characteristic temporal evolution of the ignition process. First, a localized first-stage ignition event consistently occurs in highest temperature mixture regions. This initiates, owed to the intense scalar dissipation, a turbulent cool flame wave propagating from this ignition spot through the entire flow field. This wave significantly decreases the ignition delay of lower temperature mixture regions in comparison to their homogeneous reference. This explains the experimentally observed formaldehyde formation across the entire spray head prior to high-temperature ignition which consistently occurs first in a broad range of rich mixture regions. There, the combination of first-stage ignition delay, shortened by the cool flame wave, and the subsequent delay until second-stage ignition becomes minimal. A turbulent flame subsequently propagates rapidly through the entire mixture over time scales consistent with experimental observations. As a result, we demonstrate that the neglect of turbulence-chemistry-interactions fundamentally fails to capture the key features of this ignition process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Confinement-Driven Heterogeneous Benzene Crystallization in Silica Nanopores

Nanoconfinement alters the thermodynamics, dynamics, and kinetics of fluids hosted in nanoscale solid nanopores to an extent that depends on the characteristics of the confining space and the chemistry of the confined fluids. Confinement-induced alterations in the phase behavior of confined energetic fluids under high pressure or low temperature are highly relevant to subsurface and subsea phenomena such as fluid flow in porous media, hydrate formation and dissociation, and gas storage capacity. Although extensive efforts have been directed toward understanding the phase behavior of confined fluids, the role of solid-liquid interfaces in the phase transitions of organic liquids has not been resolved yet. Here, we explore the onset and growth of benzene crystallization confined in 6 nm sized SBA-15 silica nanopores in the temperature range 300-200 K using in situ extended range small-angle and wide-angle X-ray scattering (SAXS/WAXS) measurements and atomistic classical molecular dynamics (MD) simulations. The crystallization onset of confined benzene depresses to 265 K compared to the freezing point of bulk benzene ( ~278 K), followed by the continuous growth of the emerged crystals in the pore space with complete crystallization at 200 K. The orientation of the emerged benzene crystals is dominated by parallel (π-π stacking) and perpendicular (T-shape stacking) orientations along the cylindrical pore radius and pore length, respectively. The onset of benzene crystals occurs heterogeneously on the pore surface and grows continuously toward the pore center. Further, confined benzene undergoes a dynamical crossover from fragile to strong dynamics behavior, inferred from the rotational and translational diffusion. The insights provided by this study have significant implications for the phase transitions of confined organic liquids that are relevant to a wide range of applications in the biological, geological, environmental, and chemical fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Rouse mode analysis of chain relaxation in homopolymer melts

We use molecular dynamics simulations of the Kremer–Grest (KG) bead–spring model of polymer chains of length between 10 and 500, and a closely related analogue that allows for chain crossing, to clearly delineate the effects of entanglements on the length-scale-dependent chain relaxation in polymer melts. We analyze the resulting trajectories using the Rouse modes of the chains and find that entanglements strongly affect these modes. The relaxation rates of the chains show two limiting effective monomeric frictions, with the local modes experiencing much lower effective friction than the longer modes. The monomeric relaxation rates of longer modes vary approximately inversely with chain length due to kinetic confinement effects. The time-dependent relaxation of Rouse modes has a stretched exponential character with a minimum of stretching exponent in the vicinity of the entanglement chain length. None of these trends are found in models that allow for chain crossing. As a result, these facts, in combination, argue for the confined motion of chains for time scales between the entanglement time and their ultimate free diffusion.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Oxygen reduction reaction induced pH-responsive chemo-mechanical hydrogel actuators

We describe and characterize elementary designs for electrochemical micro- and macro-scale chemomechanical hydrogel actuators. The actuation of a pH-sensitive cross-linked polyacrylic acid (PAA) hydrogel is driven in the model devices through the oxygen reduction reaction (ORR) occurring at the electrodes of an embedded Au mesh micro-electrochemical array. Proton consumption by the ORR at the cathode of the embedded electrochemical cell leads to the formation of a localized pH gradient that in turn drives the strain response in the composite actuators. The dynamics result from the ionization of the carboxylic acid moieties of the PAA network in the high pH region, yielding an osmotic pressure that drives a volumetric expansion due to water imbibition. This system actuates both stably and reversibly; when the electrochemically-induced ORR is halted, the localized pH gradient dissipates due to diffusive mixing, which in turn relaxes the induced strains. Two approaches to the fabrication of hydrogel actuators were examined in this work. The first method adopted a design based on small flagella (~0.2 mm × 1.5 mm × 60 μm, width × length × height) in which the actuating PAA structures are molded atop a set of fixed electrodes mounted on a supporting substrate. These hydrogel actuators show fast, large-amplitude, and largely reversible responses in the ORR mediated chemomechanical dynamics. We also investigated larger hydrogel actuators (~4.5 mm × 11 mm × 1 mm, width × length × height), based on an autonomous design that embeds an open mesh stretchable micro-electrode array within the hydrogel. Furthermore, the significant and design-dependent impacts of mass transfer on the chemomechanical dynamics are evidenced in each case, a feature examined to elucidate more efficient mesoscopic design rules for actuators of this form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗