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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Adaptive Multirate Mass Transfer (aMMT) Model: A New Approach to Upscale Regional‐Scale Transport Under Transient Flow Conditions

Abstract The long‐term evaluation of regional‐scale groundwater quality needs efficient upscaling methods for transient flow. Upscaling techniques, such as the Multirate Mass Transfer (MRMT) method with constant upscaling parameters, have been used for transport with steady‐state flow, yet the upscaling parameters (i.e., rate coefficients) may be time dependent. This study proposed and validated an adaptive MRMT (aMMT) method by allowing the mass transfer coefficients in MRMT to change with the flow field. Advective‐dispersive contaminant transport simulated in a 3‐D heterogeneous medium was used as a reference solution. Equivalent transport under homogeneous flow conditions was evaluated by applying the MRMT and aMMT models for upscaling. The relationship between mass transfer coefficients and flow rates was fitted under steady‐state flow driven by various hydraulic gradients. A power law relationship was obtained, which was then used to update the mass transfer coefficients in each stress period under transient flow conditions in the aMMT method. Results indicated that for advection‐dominated transport, both the MRMT and aMMT methods can upscale the anomalous transport dynamics affected by subgrid heterogeneity under transient flow conditions. Whereas for diffusion‐dominated systems, the MRMT model failed to capture the tails of tracer breakthrough curves after the boundary condition changed, but the results from the aMMT model were significantly improved. However, if the overall flow direction changed, both MRMT and aMMT failed to represent the breakthrough curve tail generated by the heterogeneous system. The results point toward a promising path for upscaling transport in complex aquifers with transient flow.

Guo, Zhilin↗
NASA NTRS1972

Thermophysical properties of parahydrogen from the freezing liquid line to 5000 R for pressures to 10000 psia

The tables include entropy, enthalpy, internal energy, density, volume, speed of sound, specific heat, thermal conductivity, viscosity, thermal diffusivity, Prandtl number, and the dielectric constant for 65 isobars. Quantities of special utility in heat transfer and thermodynamic calculations are also included in the isobaric tables. In addition to the isobaric tables, tables for the saturated vapor and liquid are given, which include all of the above properties, plus the surface tension. Tables for the P-T of the freezing liquid, index of refraction, and the derived Joule-Thomson inversion curve are also presented.

Mccarty, R. D.↗
DOE OSTI2022

Anisotropic thermal diffusivity and conductivity in SiC/SiC tubes studied by infrared imaging and X-ray computed tomography

Traditional flash diffusivity evaluation of thermal diffusivity/conductivity of composite tubes require machining of specimens. For a thin-wall tube, this method can only be used to obtain through-thickness transport property. A novel method to evaluate anisotropic thermal diffusivity in a composite tube has been developed. Braided SiC/SiC composite tubes were subjected to a xenon flash heating pulse. A high-speed, high-sensitivity infrared camera was used to measure surface temperature changes as a function of time and nondestructively detect subsurface defects/damages, such as macroscopic pores. Standard reference material (Pyroceram 9606) and curved SiC/SiC composite tube specimens were used to validate thermal diffusivity obtained from infrared imaging. Unlike the traditional method, there is no need prepare special specimens, and thermal diffusivity values in three orientations are obtained after a single flash. A finite element analysis model based on x-ray computed tomography scans was developed to simulate the heat transfer. In conclusion, this technique is significant in assessing thermal conductivity and inspecting the health of ceramic tubes during and after service.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Space radiator simulation system analysis

A transient heat transfer analysis was carried out on a space radiator heat rejection system exposed to an arbitrarily prescribed combination of aerodynamic heating, solar, albedo, and planetary radiation. A rigorous analysis was carried out for the radiation panel and tubes lying in one plane and an approximate analysis was used to extend the rigorous analysis to the case of a curved panel. The analysis permits the consideration of both gaseous and liquid coolant fluids, including liquid metals, under prescribed, time dependent inlet conditions. The analysis provided a method for predicting: (1) transient and steady-state, two dimensional temperature profiles, (2) local and total heat rejection rates, (3) coolant flow pressure in the flow channel, and (4) total system weight and protection layer thickness.

Black, W. Z.↗
NASA NTRS1993

Massively parallel computation of RCS with finite elements

One of the promising combinations of finite element approaches for scattering problems uses Whitney edge elements, spherical vector wave-absorbing boundary conditions, and bi-conjugate gradient solution for the frequency-domain near field. Each of these approaches may be criticized. Low-order elements require high mesh density, but also result in fast, reliable iterative convergence. Spherical wave-absorbing boundary conditions require additional space to be meshed beyond the most minimal near-space region, but result in fully sparse, symmetric matrices which keep storage and solution times low. Iterative solution is somewhat unpredictable and unfriendly to multiple right-hand sides, yet we find it to be uniformly fast on large problems to date, given the other two approaches. Implementation of these approaches on a distributed memory, message passing machine yields huge dividends, as full scalability to the largest machines appears assured and iterative solution times are well-behaved for large problems. We present times and solutions for computed RCS for a conducting cube and composite permeability/conducting sphere on the Intel ipsc860 with up to 16 processors solving over 200,000 unknowns. We estimate problems of approximately 10 million unknowns, encompassing 1000 cubic wavelengths, may be attempted on a currently available 512 processor machine, but would be exceedingly tedious to prepare. The most severe bottlenecks are due to the slow rate of mesh generation on non-parallel machines and the large transfer time from such a machine to the parallel processor. One solution, in progress, is to create and then distribute a coarse mesh among the processors, followed by systematic refinement within each processor. Elimination of redundant node definitions at the mesh-partition surfaces, snap-to-surface post processing of the resulting mesh for good modelling of curved surfaces, and load-balancing redistribution of new elements after the refinement are auxiliary steps expected to result in a robust low i/o system for very large finite element problems.

Parker, Jay↗
NASA NTRS1999

Recent Development on O(+) - O Collision Frequency and Ionosphere-Thermosphere Coupling

The collision frequency between an oxygen atom and its singly charged ion controls the momentum transfer between the ionosphere and the thermosphere. There has been a long standing discrepancy, extending over a decade, between the theoretical and empirical determination of this frequency: the empirical value of this frequency exceeded the theoretical value by a factor of 1.7. Recent improvements in theory were obtained by using accurate oxygen ion-oxygen atom potential energy curves, and partial wave quantum mechanical calculations. We now have applied three independent statistical methods to the observational data, obtained at the MIT/Millstone Hill Observatory, consisting of two sets A and B. These methods give results consistent with each other, and together with the recent theoretical improvements, bring the ratio close to unity, as it should be. The three statistical methods lead to an average for the ratio of the empirical to the theoretical values equal to 0.98, with an uncertainty of +/-8%, resolving the old discrepancy between theory and observation. The Hines statistics, and the lognormal distribution statistics, both give lower and upper bounds for the Set A equal to 0.89 and 1.02, respectively. The related bounds for the Set B are 1.06 and 1.17. The average values of these bounds thus bracket the ideal value of the ratio which should be equal to unity. The main source of uncertainties are errors in the profile of the oxygen atom density, which is of the order of 11%. An alternative method to find the oxygen atom density is being suggested.

Omidvar, K.↗
DOE OSTI2026

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Accretion disk limit cycle mechanism in twin-degenerate interacting binaries

Accretion disk instability is studied as a possible mechanism causing large variations in the optical light curves of twin-degenerate interacting binary stars. The nonthermal equilibrium limit cycle behavior of the accretion disk expected for such a binary system is explored using a generalized time-dependent, nonthermal equilibrium accretion disk model developed for the study of dwarf novae. A series of bursts is computed for a wide range of values of the secondary mass transfer rate, and the results are presented and discussed.

Cannizzo, J. K.↗
NASA NTRS1991

Tunneling calculations for GaAs-Al(x)Ga(1-x) as graded band-gap sawtooth superlattices

Quantum mechanical tunneling calculations for sawtooth (linearly graded band-gap) and step-barrier AlGaAs superlattices were performed by means of a transfer matrix method, within the effective mass approximation. The transmission coefficient and tunneling current versus applied voltage were computed for several representative structures. Particular consideration was given to effective mass variations. The tunneling properties of step and sawtooth superlattices show some qualitative similarities. Both structures exhibit resonant tunneling, however, because they deform differently under applied fields, the J-V curves differ.

Forrest, Kathrine A.↗
NASA NTRS1999

Crack Growth Prediction Methodology for Multi-Site Damage: Layered Analysis and Growth During Plasticity

A finite element program has been developed to perform quasi-static, elastic-plastic crack growth simulations. The model provides a general framework for mixed-mode I/II elastic-plastic fracture analysis using small strain assumptions and plane stress, plane strain, and axisymmetric finite elements. Cracks are modeled explicitly in the mesh. As the cracks propagate, automatic remeshing algorithms delete the mesh local to the crack tip, extend the crack, and build a new mesh around the new tip. State variable mapping algorithms transfer stresses and displacements from the old mesh to the new mesh. The von Mises material model is implemented in the context of a non-linear Newton solution scheme. The fracture criterion is the critical crack tip opening displacement, and crack direction is predicted by the maximum tensile stress criterion at the crack tip. The implementation can accommodate multiple curving and interacting cracks. An additional fracture algorithm based on nodal release can be used to simulate fracture along a horizontal plane of symmetry. A core of plane strain elements can be used with the nodal release algorithm to simulate the triaxial state of stress near the crack tip. Verification and validation studies compare analysis results with experimental data and published three-dimensional analysis results. Fracture predictions using nodal release for compact tension, middle-crack tension, and multi-site damage test specimens produced accurate results for residual strength and link-up loads. Curving crack predictions using remeshing/mapping were compared with experimental data for an Arcan mixed-mode specimen. Loading angles from 0 degrees to 90 degrees were analyzed. The maximum tensile stress criterion was able to predict the crack direction and path for all loading angles in which the material failed in tension. Residual strength was also accurately predicted for these cases.

James, Mark Anthony↗
NASA NTRS2005

Disk-averaged synthetic spectra of Mars

The principal goal of the NASA Terrestrial Planet Finder (TPF) and European Space Agency's Darwin mission concepts is to directly detect and characterize extrasolar terrestrial (Earthsized) planets. This first generation of instruments is expected to provide disk-averaged spectra with modest spectral resolution and signal-to-noise. Here we use a spatially and spectrally resolved model of a Mars-like planet to study the detectability of a planet's surface and atmospheric properties from disk-averaged spectra. We explore the detectability as a function of spectral resolution and wavelength range, for both the proposed visible coronograph (TPFC) and mid-infrared interferometer (TPF-I/Darwin) architectures. At the core of our model is a spectrum-resolving (line-by-line) atmospheric/surface radiative transfer model. This model uses observational data as input to generate a database of spatially resolved synthetic spectra for a range of illumination conditions and viewing geometries. The model was validated against spectra recorded by the Mars Global Surveyor-Thermal Emission Spectrometer and the Mariner 9-Infrared Interferometer Spectrometer. Results presented here include disk-averaged synthetic spectra, light curves, and the spectral variability at visible and mid-infrared wavelengths for Mars as a function of viewing angle, illumination, and season. We also considered the differences in the spectral appearance of an increasingly ice-covered Mars, as a function of spectral resolution, signal-to-noise and integration time for both TPF-C and TPFI/ Darwin.

Mars↗
NASA NTRS2001

A Model for Hydrogen Thermal Conductivity and Viscosity Including the Critical Point

In order to conduct a thermal analysis of heat transfer to liquid hydrogen near the critical point, an accurate understanding of the thermal transport properties is required. A review of the available literature on hydrogen transport properties identified a lack of useful equations to predict the thermal conductivity and viscosity of liquid hydrogen. The tables published by the National Bureau of Standards were used to perform a series of curve fits to generate the needed correlation equations. These equations give the thermal conductivity and viscosity of hydrogen below 100 K. They agree with the published NBS tables, with less than a 1.5 percent error for temperatures below 100 K and pressures from the triple point to 1000 KPa. These equations also capture the divergence in the thermal conductivity at the critical point

Wagner, Howard A.↗
DOE OSTI2026

Collapse of magnetized white dwarfs as site of heavy-element formation and kilonova signal

We present the first end-to-end calculation connecting the accretion-induced collapse (AIC) of a magnetized, rapidly rotating white dwarf to observable kilonova signatures, combining two-dimensional (2D) general-relativistic neutrino-magnetohydrodynamic simulations, followed by radiation hydrodynamics with in-situ nuclear network and 2D Monte Carlo radiative transfer with spatially resolved heating rates. Unlike all previous unmagnetized AIC models – which predicted proton-rich, $^{56}$Ni-dominated ejecta – strong magnetic fields eject ${\approx }\, 0.2\, \mathrm{ M}_\odot$ of neutron-rich material ($\langle Y_e \rangle \sim 0.24$) on dynamical time-scales, before neutrino irradiation can raise the electron fraction, enabling strong r-process nucleosynthesis up to and beyond the third peak. The resulting kilonova is lanthanide-rich ($X_{\rm lan} \approx 8~{{\ \rm per\ cent}}$) and dominated by near-infrared emission. We compute synthetic light curves in the Large Synoptic Survey Telescope and J ames Webb Space Telescope bands and find striking agreement, without parameter tuning, between the observations of AT 2023vfi/GRB 230307A and our broadband light curves for polar viewing angles. These results establish magnetized AIC as a viable channel for heavy r-process element production and a compelling progenitor candidate for long-duration gamma-ray bursts with kilonova signatures.

MHD↗
DOE OSTI2024

From Coherence to Function: Exploring the Connection in Chemical Systems

The role of quantum mechanical coherences or coherent superposition states in excited state processes has received considerable attention in the last two decades largely due to advancements in ultrafast laser spectroscopy. These coherence effects hold promise for enhancing the efficiency and robustness of functionally relevant processes, even when confronted with energy disorder and environmental fluctuations. Understanding coherence deeply drives us to unravel mechanisms and dynamics controlled by order and synchronization at a quantum mechanical level, envisioning optical control of coherence to enhance functions or create new ones in molecular and material systems. In this frontier, the interplay between electronic and vibrational dynamics, specifically the influence of vibrations in directing electronic dynamics, has emerged as the leading principle. Here, two energetically disparate quantum degrees of freedom work in-sync to dictate the trajectory of an excited state reaction. Moreover, with the vibrational degree being directly related to the structural composition of molecular or material systems, new molecular designs could be inspired by tailoring certain structural elements. In the realm of chemical kinetics, our understanding of the dynamics of chemical transformations is underpinned by fundamental theories, such as transition state theory, activated rate theory, and Marcus theory. These theories elucidate reaction rates by considering the energy barriers that must be overcome for reactants to transform into products. Those barriers are surmounted by the stochastic nature of energy gap fluctuations within reacting systems, emphasizing that the reaction coordinate, the pathway from reactants to products, is not rigidly defined by a specific vibrational motion but encompasses a diverse array of molecular motions. While less is known about the involvement of specific intramolecular vibrational modes, their significance in certain cases cannot be overlooked. In this Account, we summarize key experimental findings that offer deeper insights into the complex electronic–vibrational trajectories encompassing excited states afforded from state-of-the-art ultrafast laser spectroscopy in three exemplary processes: photoinduced electron transfer, singlet–triplet intersystem crossing, and intramolecular vibrational energy flow in molecular systems. We delve into the rapid decoherence, or loss of phase and amplitude correlations, of vibrational coherences along promoter vibrations during subpicosecond intersystem crossing dynamics in a series of binuclear platinum complexes. This rapid decoherence illustrates the vibration-driven reactive pathways from the Franck–Condon state to the curve crossing region. We also explore the generation of new vibrational coherences induced by impulsive reaction dynamics rather than by the laser pulse in these systems, which sheds light on specific energy dissipation pathways and thereby on the progression of the reaction trajectory in the vicinity of the curve crossing on the product side. Another property of vibrational coherences, amplitude, reveals how energy can flow from one vibration to another in the electronic excited state of a terpyridine–molybdenum complex hosting a nonreactive dinitrogen substrate. In conclusion, a slight change in vibrational energy triggers a quasi-resonant interaction, leading to constructive wavepacket interference and ultimately intramolecular vibrational redistribution from a Franck–Condon active terpyridine vibration to a dinitrogen stretching vibration, energizing the dinitrogen bond.

Electrical energy↗
DOE OSTI2026

Scalable Hot-Water-Repellent Superhydrophobicity via Thermal Insulation

Superhydrophobic surfaces, which rely on a combination of surface texture and chemistry, often lose their repellent behavior when contacted by hot water (≳40 °C) because the impinging hot water replaces the requisite air layer within the surface texture via evaporation and recondensation. In contrast to previous approaches targeting this condensation-induced failure mode that rely on intricately tailored surface structures or complex chemical treatments, we present a scalable approach based on thermal design: the multilayered insulated superhydrophobic (MISH) coating mitigates condensation-induced failure by preventing heat transfer. Superhydrophobicity is retained at impinging water temperatures up to 90 °C, with durability demonstrated via long-term (>1 million impacts) droplet impingement experiments. We explain the mechanism for this approach with a detailed thermal model; the model reveals that the underlying physical behavior is self-similar across coating parameters and impinging fluid temperatures. Finally, the MISH coating accommodates curved geometries and large surfaces, and it is over 4 orders of magnitude less expensive than cleanroomnanofabricated alternatives, indicating promise for practical use in the energy sector, chemical processing, and the food and medical industries.

coating materials↗
NASA NTRS1993

HW Virginis - A short period eclipsing binary containing an sdB star

Simultaneous photometry of the binary star HW Vir, a detached system with an orbital period of 2 h 48 min is described. The new UBVR light curves obtained using the Wilson-Devinney code are found to constrain the orbital inclination of the system within the narrow range of 80.6 +/-0.2 deg. The temperature of the primary star is between 29,000 and 36,000 K, and the temperature of the secondary star is near 3,700 K. The possible masses and radii of the two stars are calculated using the published amplitude of the radial velocity curve of the primary star, 87.9 +/-4.8 km/s. It is found that, for the primary star log g1 is greater than 4.8 and less than or equal to 5.8. From the temperature and gravity of the primary star, its distance is found to be in the range between 42 and 151 pc. It is suggested that the system will begin mass transfer when the orbital period has decreased enough to bring the secondary star into contact with its Roche lobe.

Wood, Janet H.↗
NASA NTRS1999

Recent Development on O(+)-O Collision Frequency and Ionosphere-Middle Atmosphere Coupling

The collision frequency between an oxygen atom and its singly charged ion controls the transfer of energy between the solar radiation and the thermosphere. There were a long standing discrepancy, extending over a decade, between the theoretical and empirical determination of this frequency, and the empirical value of this frequency exceeded the theoretical value by a factor of 1.7. Recent improvements in theory were obtained by using accurate oxygen ion-oxygen atom potential energy curves, and partial wave quantum mechanical calculations. Similarly, recently three independent statistical methods were applied to the empirical determination of this frequency. These methods give results consistent with each other, and together with the recent theoretical improvements, bring the ratio close to unity, as it should be. It will be shown that the old statistical method for this determination contained accumulative errors, leading to a larger value for this ratio. The recent improvements lead to an average value of the empirical to the theoretical ratio equal to 0.98, with an uncertainty of +/- 8%, resolving the old discrepancy between theory and observations. The main source of uncertainties are errors in the profile of the oxygen atom density, which is of the order of 11 %. An alternative method to find the oxygen atom density is being suggested.

Omidvar, K.↗