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At least 325 records · Page 18

Physics of Reconnection and MMS Mission

Reconnection is the most important process driving the Earth's magnetosphere. Key to the success of the MMS science plan is the coupling of theory and observation. Determining the kinetic processes occurring in the diffusion region and physical parameters that control the rate of magnetic reconnection are among primary objectives of the MMS mission. Analysis of the role played by particle inertial effects in the diffusion region where the plasma is unmagnetized will be presented. The reconnection electric field in he diffusion region is supported primarily by particle non-gyrotropic effects. At the quasi-steady stage the reconnection electric field serves to accelerate and heat the incoming plasma population to maintain the current flow in the diffusion region the pressure balance. The primary mechanism controlling the dissipation in the vicinity of the reconnection site is incorporated into the fluid description in terms of non-gyrotropic corrections to the. induction and energy equations. The results of kinetic and fluid simulations illustrating the physics of magnetic reconnection will be presented. We will dem~:tistrate that kinetic nongyrotropic effects can significantly alter the global magnetosphere evolution and location of reconnection sites.

Kuznetsova, M. M.↗

Nanodomain Formation and Temperature-Dependent Diffusion in Deep Eutectic Solvents Revealed by Single-Molecule Tracking

Deep eutectic solvents (DESs) are typically regarded as homogeneous liquids; however, recent work shows that many exhibit nanoscale structural heterogeneity. Most studies attribute these nanoscale features to short-range chemical interactions. It is still unclear whether a long-range physical mechanism also plays a role. Here, in this study, we examined the nanoscale structure in two hydrophobic DESs, 1:3 tetrabutylammonium bromide: l-menthol (DES-butyl) and 1:3 tetraoctylammonium bromide: l-menthol (DES-octyl). The notation 1:3 represents the molar ratio of the hydrogen bond acceptors to hydrogen bond donors used in the synthesis of the DESs. Single-molecule tracking (SMT) coupled with maximum entropy method (MEM) analysis was used to measure the number of diffusion populations of a dilute concentration of an added fluorescent probe. The presence of more than one population of diffusion coefficients indicates the existence of multiple local environments for the fluorescent probe (i.e., nanoscale structures in the DES). DES-butyl showed a relatively narrow diffusion coefficient distribution centered at 0.55 μm 2 /s, whereas DES-octyl displayed two distinct diffusing populations at 20 °C, with diffusion coefficients of 0.12 μm 2 /s and 0.53 μm 2 /s for the slow and fast populations, respectively. As DES-octyl was heated, the slow-diffusing population steadily diminished and disappeared above ∼30 °C, indicating that the nanodomains present at lower temperatures collapse as the liquid becomes more thermodynamically mixed. This temperature-dependent homogenization is consistent with a physical mechanism of nanostructure formation, for example, liquid–liquid phase separation (LLPS), wherein the structure is not driven solely by specific chemical interactions. The SMT-MEM results suggest that a long-range physical mechanism is the most plausible origin of the measured nanoscale structure in DES-octyl.

Opare-Addo, Jemima [Ames Laboratory (AMES), Ames, ↗

Turbulent Flame Processes Via Diffusion Flame-Vortex Ring Interactions

Flame-vortex interactions are canonical configurations that can be used to study the underlying processes occurring in turbulent reacting flows. This configuration contains many of the fundamental aspects of the coupling between fluid dynamics and combustion that could be investigated with more controllable conditions than are possible under direct investigations of turbulent flames. Diffusion flame-vortex ring interaction contains many of the fundamental elements of flow, transport, combustion, and soot processes found in turbulent diffusion flames. Some of these elements include concentrated vorticity, entrainment and mixing, strain and nonequilibrium phenomena, diffusion and differential diffusion, partial premixing and diluent effects, soot formation and oxidation, and heat release effects. Such simplified flowfield allows the complex processes to be examined more closely and yet preserving the physical processes present in turbulent reacting flows. Furthermore, experimental results from the study of flame-vortex interactions are useful for the validation of numerical simulations and more importantly to deepen our understanding of the fundamental processes present in reacting flows. Experimental and numerical results obtained under microgravity conditions of the diffusion flame-vortex ring interaction are summarized in this paper. Results are obtained using techniques that include Flame Luminosity Imaging (FLI), Laser Soot-Mie Scattering (LSMS), Computational Fluid Dynamics and Combustion (CFDC), and Diode Laser Spectroscopy/Iterative Temperature with Assumed Chemistry (DLS/ITAC).

Dahm, Werner J. A.↗

Integrated geological, economic, and risk assessment of underground hydrogen storage

Underground hydrogen storage (UHS) is a promising option to buffer variable renewable power and support the hydrogen economy. Yet this technology is early-stage, and key uncertainties remain about how coupled processes such as geochemical and geomechanical impacts affect long-term storage security. In this paper, we seek to integrate the results from a large, multi-scale research program to quantify core feasibility metrics and situate these studies within ongoing efforts. Through this work, we evaluate hydrogen recoverability during storage by assessing diffusive losses, losses to geochemical interactions and their subsequent impact on geomechanical properties, and losses to residual saturation during injection and withdrawal. Molecular and laboratory studies show that lithologic heterogeneity, pore geometry, and mineral surface chemistry govern hydrogen–rock interactions, controlling loss pathways. High-pressure coreflooding is used to estimate relative permeabilities and measure parameters needed for reservoir-scale sensitivity analyses. These core-scale experiments found early hydrogen breakthrough at low saturations driven by capillary and viscous fingering, which limits pore-space utilization at early times, while repeated injection and withdrawal cycles improve deliverability over time. Technoeconomic factors and purity requirements for end uses are also considered as part of our comprehensive feasibility analysis. Finally, we underscore the importance of geophysical monitoring and tailored injection strategies to maintain integrity and efficiency. Together, these results provide a quantitative foundation for safe, scalable deployment of UHS and highlight priorities for future integrated studies.

08 HYDROGEN↗

Platinum-group elements (PGE) and Rhenium in Marine Sediments across the Cretaceous-Tertiary Boundary: Constraints on Re-PGE Transport in the Marine Environment

The nature of Re-platinum-group element (PGE; Pt, Pd, Ir, Os, Ru) transport in the marine environment was investigated by means of marine sediments at and across the Cretaceous-Tertiary boundary (KTB) at two hemipelagic sites in Europe and two pelagic sites in the North and South Pacific. A traverse across the KTB in the South Pacific pelagic clay core found elevated levels of Re, Pt, Ir, Os, and Ru, each of which is approximately symmetrically distributed over a distance of approx. 1.8 m across the KTB. The Re-PGE abundance patterns are fractionated from chondritic relative abundances: Ru, Pt, Pd, and Re contents are slightly subchondritic relative to Ir, and Os is depleted by approx. 95% relative to chondritic Ir proportions. A similar depletion in Os (approx. 90%) was found in a sample of the pelagic KTB in the North Pacific, but it is enriched in Ru, Pt, Pd, and Re relative to Ir. The two hemipelagic KTB clays have near-chondritic abundance patterns. The approx. 1.8-m-wide Re-PGE peak in the pelagic South Pacific section cannot be reconciled with the fallout of a single impactor, indicating that postdepositional redistribution has occurred. The elemental profiles appear to fit diffusion profiles, although bioturbation could have also played a role. If diffusion had occurred over approx. 65 Ma, the effective diffusivities are approx. 10(exp -13)sq cm/s, much smaller than that of soluble cations in pore waters (approx. 10(exp -5) sq cm/s). The coupling of Re and the PGEs during redistribution indicates that postdepositional processes did not significantly fractionate their relative abundances. If redistribution was caused by diffusion, then the effective diffusivities are the same. Fractionation of Os from Ir during the KTB interval must therefore have occurred during aqueous transport in the marine environment. Distinctly subchondritic Os/Ir ratios throughout the Cenozoic in the South Pacific core further suggest that fractionation of Os from Ir in the marine environment is a general process throughout geologic time because most of the inputs of Os and Ir into the ocean have OsAr ratios greater than or = 1. Mass balance calculations show that Os and Re burial fluxes in pelagic sediments account for only a small fraction of the riverine Os (less than 10%) and Re (less than 0.1%) inputs into the oceans. In contrast, burial of Ir in pelagic sediments is similar to the riverine Ir input, indicating that pelagic sediments are a much larger repository for Ir than for Os and Re. If all of the missing Os and Re is assumed to reside in anoxic sediments in oceanic margins, the calculated burial fluxes in anoxic sediments are similar to observed burial fluxes. However, putting all of the missing Os and Re into estuarine sediments would require high concentrations to balance the riverine input and would also fail to explain the depletion of Os at pelagic KTB sites, where at most approx. 25% of the K-T impactor's Os could have passed through estuaries. If Os is preferentially sequestered in anoxic marine environments, it follows that the OsAr ratio of pelagic sediments should be sensitive to changes in the rates of anoxic sediment deposition. There is thus a clear fractionation of Os and Re from Ir in precipitation out of sea water in pelagic sections. Accordingly, it is inferred here that Re and Os are removed from sea water in anoxic marine depositional regimes.

Lee, Cin-Ty Aeolus↗

Terminal-shock and restart control of a Mach 2.5, axisymmetric, mixed compression inlet with 40 percent internal contraction

Results of experimental tests conducted on a supersonic, mixed-compression, axisymmetric inlet are presented. The inlet is designed for operation at Mach 2.5 with a turbofan engine (TF-30). The inlet was coupled to either a choked orifice plate or a long duct which had a variable-area choked exit plug. Closed-loop frequency responses of selected diffuser static pressures used in the terminal-shock control system are presented. Results are shown for Mach 2.5 conditions with the inlet coupled to either the choked orifice plate or the long duct. Inlet unstart-restart traces are also presented. High-response inlet bypass doors were used to generate an internal disturbance and also to achieve terminal-shock control.

Baumbick, R. J.↗

Developing the Science Basis for Understanding Polymer Encapsulant Degradation Mechanisms: DuraMAT 2.0 Final Project Report

Polymeric encapsulants are essential materials in photovoltaic modules, protecting sensitive electronics from the environment while providing mechanical integrity to the multilayered assembly. However, these polymeric materials are susceptible to degradation processes driven by the ingress of environmental species, ultraviolet radiation, thermal stresses, and mechanical loading. In this study, we employ a combined atomistic simulation and accelerated aging experimental approach to study the molecular-scale mechanisms of encapsulant degradation. Classical molecular dynamics simulations quantify the diffusion of environmental and degradation species through the polymer matrix, producing composition-specific diffusion coefficients. Reactive simulations characterize activation energy barriers and reaction rate constants for key chemical pathways. In parallel, thermal-desorption analyses coupled with mass spectrometry monitor the emergence and concentration profiles of degradation products under controlled stressor conditions. By integrating simulation and experiment, we establish quantitative correlations between polymer composition, species diffusivity, and chemical reactivity. We anticipate that these relations and quantitative values could serve as high-fidelity inputs to reaction-diffusion models, enabling physics-informed lifetime predictions and guiding the design of more durable encapsulant materials for solar energy applications.

36 MATERIALS SCIENCE↗

Effects of free-stream turbulence on diffuser performance

An experimental evaluation of the effects of free stream turbulence on the performance of a subsonic two dimensional diffuser was made. The diffuser's static pressure recovery coefficient was increased 11.4 and 21.1 percent at total. Divergence angles of 12 and 20 degrees respectively were obtained when the value of the inlet integral free stream scale of turbulence in the flow direction was at least 7.5 times larger than the inlet boundary layer displacement thickness, and when the inlet total free stream turbulence intensity was at least 3.5 percent. It is hypothesized that a larger scale of turbulence transmits the free stream energy to the wall more effectively and when coupled with large turbulence intensities, acts to decrease the distortion and delay separation within the diffuser.

Hoffmann, J. A.↗

Anharmonic phonons, thermal expansion, and nuclear quantum effects in Zn

The anharmonic behavior of phonons and thermal expansion of hexagonal zinc were studied from 15 to 690 K by inelastic neutron scattering (INS) and ab initio simulations. Phonon spectra were measured for Q-points covering the full Brillouin zone, giving the phonon density of states (DOS) and dispersions along high-symmetry directions. The dispersions were sharp at 15 K, but diffuse intensity was observed at energies above them. The dispersions broadened with temperature T and the diffuse intensity became stronger. This diffuse intensity appeared in all INS measurements and simulations, except for classical molecular dynamics at 15 K. The temperature-dependent effective potential (TDEP) method, which included the nuclear quantum effect from zero-point vibrational dynamics, was used to calculate the free energy and thermal expansion. For T < 100 K nuclear quantum effects were important for obtaining the correct negative thermal expansion, and path integral molecular dynamics (PIMD) was particularly effective for obtaining the negative thermal expansion in the basal plane. A Heisenberg-Langevin model for interacting phonons coupled to a thermal bath was able to reproduce the shape and intensity of the diffuse spectral features.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exploring interlayer coupling in the twisted bilayer PtTe 2

We have investigated interlayer interactions in the bilayer PtTe 2 system, which influence the electronic energy bands near the Fermi level. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB, AC) manifest distinct interlayer binding characteristics among the stacking modes by revealing significantly different interlayer separations depending on the stacking, which is critical to understanding the interlayer coupling of the twisted bilayers consisting of various local stacking arrangements. Furthermore, a comparison between the interlayer separations obtained from DMC and density functional theory (DFT) shows that meta-generalized gradient approximation (GGA)-based van der Waals–DFT results agree with DMC for different layer stackings, including twisted bilayers, but only the ground-state AA stacking matches well with GGA-based DFT predictions. This underscores the importance of accurate exchange-correlation potentials even for capturing the stacking-dependent interlayer binding properties. We further show that the variability in DFT-predicted interlayer separations is responsible for the large discrepancy of band structures in the 21 . 79 ∘ twisted bilayer PtTe 2 , affecting its classification as metallic or insulating. These results demonstrate the importance of obtaining a correct description of stacking-dependent interlayer coupling in modeling delicate bilayer systems at finite twists. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

An integrated analytical aeropropulsive/aeroelastic model for the dynamic analysis of hypersonic vehicles

The development of an approach to the determination of the dynamic characteristics of hypersonic vehicles which is intentionally generic and basic is given. The approach involves a 2D hypersonic aerodynamic analysis utilizing Newtonian theory, coupled with a 1D aero/thermoanalysis of the flow in a scramjet-type propulsion system. In addition, the airframe is considered to be elastic, and the structural dynamics are characterized in terms of a simple lumped-mass model of the invacuo vibration modes. The vibration modes are coupled to the rigid-body modes through the aero/propulsive forces acting on the structure. The control effectors considered on a generic study configuration include aerodynamic pitch-control surfaces, as well as engine fuel flow and diffuser area ratio. The study configuration is shown to be highly statically unstable in pitch, and to exhibit strong airframe/engine/elastic coupling in the aeroelastic and attitude dynamics, as well as the engine responses.

Chavez, Frank R.↗

Resolving the dynamic correlated disorder in KTa 1- x Nb x O 3

Understanding the complex temporal and spatial correlations of ions in disordered perovskite oxides is critical to rationalize their functional properties. Here, in this study, we provide new insights into the longstanding controversy regarding the off-centering of transition metal ions in the archetypal ferroelectric alloy KTa 1-x Nb x O 3 (KTN). By mapping the full energy (E) and wavevector (Q) dependence of the dynamical structure factor S(Q, E) using neutron scattering, and rationalizing our observations with atomistic simulations leveraging machine learning, we fully resolve the static vs dynamic nature of diffuse scattering sheets, as well as their composition (x) and temperature dependence. Our first-principles simulations, extended with machine-learning molecular dynamics, reproduce both inelastic neutron spectra and diffuse features, and establish how dynamically-correlated transition metal off-centerings couple to phonons, unifying local and collective viewpoints. This study sheds new light into an exemplary ferroelectric systems and shows the importance of mapping the full S(Q, E) to reveal critical spatio-temporal correlations of atomic disorder from which functional properties emerge.

42 ENGINEERING↗

Mariner 6, 7, and 9 ultraviolet spectrometer experiment - Analysis of hydrogen Lyman alpha data

Four Lyman alpha airglow measurements of the limb and disk of Mars, made by ultraviolet spectrometers on Mariner 6 and 7 in 1969 and Mariner 9 in 1971, are analyzed to determine the amount and distribution of atomic hydrogen above 80 km. The variation of atomic hydrogen with altitude is calculated by using time-independent chemical diffusion models from 80 to 250 km, and an exospheric model is used above 250 km. By employing radiative transfer theory that includes effects of pure absorption and accounts for temperature variations in the atmosphere, a spherical model of the airglow Lyman alpha emission is used to produce theoretical intensities for comparison with the data. It is found that (1) the exospheric temperature and distribution in 1971 are consistent with those determined in 1969, (2) the vertical optical depth above 80 km was 2.2 in 1969 and 5 in 1971, and (3) the derived atomic hydrogen distribution from 80 to 250 km requires a source of atomic hydrogen above 80 km. Comparison of observed profiles with chemical diffusion models implies a large downward flow of atomic hydrogen at 80 km coupled with a large upward flow of molecular hydrogen.-

Anderson, D. E., Jr.↗

Study of ceramic products and processing techniques in space

An analysis of the solidification kinetics of beta alumina in a zero-gravity environment was carried out, using computer-simulation techniques, in order to assess the feasibility of producing high-quality single crystals of this material in space. The two coupled transport processes included were movement of the solid-liquid interface and diffusion of sodium atoms in the melt. Results of the simulation indicate that appreciable crystal-growth rates can be attained in space. Considerations were also made of the advantages offered by high-quality single crystals of beta alumina for use as a solid electrolyte; these clearly indicate that space-grown materials are superior in many respects to analogous terrestrially-grown crystals. Likewise, economic considerations, based on the rapidly expanding technological applications for beta alumina and related fast ionic conductors, reveal that the many superior qualities of space-grown material justify the added expense and experimental detail associated with space processing.

Markworth, A. J.↗

Solutions of the Navier-Stokes equations for vortex breakdown

A numerical investigation of vortex breakdown has been undertaken in an attempt to understand its properties, and the mechanisms responsible for it. Solutions of the full steady axisymmetric Navier-Stokes equations for breakdown in an unconfined viscous vortex have been obtained for core Reynolds numbers up to 200, for a two-parameter family of assumed upstream velocity distributions. Diffusion and convection of vorticity away from the vortex core, and the strong coupling between the circumferential and axial velocity fields in highly-swirling flows, are shown to lead to stagnation and reversal of the axial flow near the axis. The various theories of vortex breakdown are considered in light of the present numerical solutions.

Grabowski, W. J.↗

Laser-zone growth in a Ribbon-To-Ribbon, RTR, process silicon sheet growth development for the large area silicon sheet task of the low cost silicon solar array project

A ribbon-to-ribbon process was used for routine growth of samples for analysis and fabrication into solar cells. One lot of solar cells was completely evaluated: ribbon solar cell efficiencies averaged 9.23% with a highest efficiency of 11.7%. Spherical reflectors have demonstrated significant improvements in laser silicon coupling efficiencies. Material analyses were performed including silicon photovoltage and open circuit photovoltage diffusion length measurements, crystal morphology studies, modulus of rupture measurements, and annealing/gettering studies. An initial economic analysis was performed indicating that ribbon-to-ribbon add-on costs of $.10/watt might be expected in the early 1980's.

Gurtler, R. W.↗

Day and night models of the Venus thermosphere

A model atmosphere of Venus for altitudes between 100 and 178 km is presented for the dayside and nightside. Densities of CO2, CO, O, N2, He, and O2 on the dayside, for 0800 and 1600 hours local time, are obtained by simultaneous solution of continuity equations. These equations couple ionospheric and neutral chemistry and the transport processes of molecular and eddy diffusion. Photodissociation and photoionization J coefficients are presented to facilitate the incorporation of chemistry into circulation models of the Venus atmosphere. Midnight densities of CO2 CO, O, N2, He, and N are derived from integration of the continuity equations, subject to specified fluxes. The nightside densities and fluxes are consistent with the observed airglow of NO and O2(1 Delta). The homopause of Venus is located near 133 km on both the dayside and nightside.

Massie, S. T.↗

Numerical solution of fluid flow and heat tranfer problems with surface radiation

This paper presents a numerical scheme, based on the finite element method, to solve strongly coupled fluid flow and heat transfer problems. The surface radiation effect for gray, diffuse and isothermal surfaces is considered. A procedure for obtaining the view factors between the radiating surfaces is discussed. The overall solution strategy is verified by comparing the available results with those obtained using this approach. An analysis of a thermosyphon is undertaken and the effect of considering the surface radiation is clearly explained.

Ahuja, S.↗