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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Grayscale Digital Light Processing Gradient Printing for Stress Concentration Reduction and Material Toughness Enhancement

Avoiding stress concentrations is essential to achieve robust parts since failure tends to originate at such concentrations. With recent advances in multimaterial additive manufacturing, it is possible to alter the stress (or strain) distribution by adjusting the material properties in selected locations. Here, we investigate the use of grayscale digital light processing (g-DLP) 3D printing to create modulus gradients around areas of high stress. These gradients prevent failure by redistributing high stresses (or strains) to the neighboring material. The improved material distributions are calculated using finite element analysis. The much-enhanced properties are demonstrated experimentally for thin plates with circular, triangular, and elliptical holes. In conclusion, this work suggests that multimaterial additive manufacturing techniques like g-DLP printing provide a unique opportunity to create tougher engineering materials and parts.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Mathematical Model for the Mineralization of Bone

A mathematical model is presented for the transport and precipitation of mineral in refilling osteons. One goal of this model was to explain calcification 'halos,' in which the bone near the haversian canal is more highly mineralized than the more peripheral lamellae, which have been mineralizing longer. It was assumed that the precipitation rate of mineral is proportional to the difference between the local concentration of calcium ions and an equilibrium concentration and that the transport of ions is by either diffusion or some other concentration gradient-dependent process. Transport of ions was assumed to be slowed by the accumulation of mineral in the matrix along the transport path. The model also mimics bone apposition, slowing of apposition during refilling, and mineralization lag time. It was found that simple diffusion cannot account for the transport of calcium ions into mineralizing bone, because the diffusion coefficient is two orders of magnitude too low. If a more rapid concentration gradient-driven means of transport exists, the model demonstrates that osteonal geometry and variable rate of refilling work together to produce calcification halos, as well as the primary and secondary calcification effect reported in the literature.

Martin, Bruce↗
NASA NTRS1994

Mathematical Model for the Mineralization of Bone

A mathematical model is presented for the transport and precipitation of mineral in refilling osteons. One goal of this model was to explain calcification 'halos,' in which the bone near the haversian canal is more highly mineralized than the more peripheral lamellae, which have been mineralizing longer. It was assumed that the precipitation rate of mineral is proportional to the difference between the local concentration of calcium ions and an equilibrium concentration and that the transport of ions is by either diffusion or some other concentration gradient-dependent process. Transport of ions was assumed to be slowed by the accumulation of mineral in the matrix along the transport path. ne model also mimics bone apposition, slowing of apposition during refilling, and mineralization lag time. It was found that simple diffusion cannot account for the transport of calcium ions into mineralizing bone, because the diffusion coefficient is two orders of magnitude too low. If a more rapid concentration gradient-driven means of transport exists, the model demonstrates that osteonal geometry and variable rate of refilling work together to produce calcification halos, as well as the primary and secondary calcification effect reported in the literature.

Martin, Bruce↗
NASA NTRS1997

Analysis, Repair, and Management of the Total Ozone Mapping Spectrometer Database

In the ensuing period we were able to demonstrate that the origin of these filamentous patterns resulted from the action of synoptic-scale vortical velocity field on the global-scale background gradient of ozone concentration in the meridional direction. Hyperbolic flow patterns between long-lived atmospheric vortices bring together air parcels from different latitudes, thus creating large gradients along the separatrices leaving the hyperbolic (stagnation) point. This result is further confirmed by the KL analysis of the ozone field in the equatorial region, where the background concentration gradient vanishes. The spectral slope in this region has been found to lie close to -1, in agreement with Batchelor's prediction. Another outcome of this result is that it at least provides indirect evidence about the kinetic energy spectrum of the atmospheric turbulence in the range of scales approximately 200 to 2000 km. Namely, Batchelor's analysis is based on the assumption that the velocity field is large-scale, that is the kinetic energy spectrum decays as O(k(sup -3)) or steeper. Since the scalar spectrum is confirmed, this also supports this form of the kinetic energy spectrum. The study of equatorial regions of TOMS data revealed the efficiency of the KL method is in detecting and separating a wave-like measurement artifact inherently present in the dataset due to the non-perfect correction for cross-track bias. Just two to three eigenfunctions represent the error, which makes it possible to enhance the data by reconstituting it from the data by eliminating the subspace of artifactual eigenfunctions. This represents a highly efficient means for achieving an improved rendering of the data. This has been implemented on the database. A wide range of techniques and algorithms have been developed for the repair and extension of the TOMS database.

Sirovich, Lawrence↗
NASA NTRS1994

Increasing Sensitivity In Continuous-Flow Electrophoresis

Sensitivity of continuous-flow electrophoresis (CFE) chamber increased by introducing lateral gradients in concentration of buffer solution and thickness of chamber. Such gradients, with resulting enhanced separation, achieved in CFE chamber with wedge-shaped cross section and collateral flow. Enables improved separations of homogeneous components of mixtures of variety of biologically important substances.

Sharnez, Rizwan↗
DOE OSTI2022

A reaction–diffusion model for grayscale digital light processing 3D printing

We report that digital light processing (DLP) 3D printing is an additive manufacturing process that utilizes light patterns to photopolymerize a liquid resin into a solid. Due to the accuracy of modern digital micromirror devices (DMD) and recent advances in resin chemistry, it is now possible to create functionally graded structures using different light intensity values, also known as grayscale DLP (g-DLP). Different intensities of light lead to differences in the polymer crosslinking density after curing, which ultimately produces a part with gradients of material properties. However, g-DLP is a complicated process. First, the DLP printing is a highly coupled chemical and physical process that involves light propagation, chemical reactions, species diffusion, heat transfer, volume shrinkage, and changes in mechanical behaviors of the curing resin. Second, in g-DLP, light gradients create strong in plane gradients of chemical species concentrations in the curing liquid resin due to the strong dependence of light intensity on the rate of monomer crosslinking. Furthermore, light gradients through the depth create concentration gradients due to the degree of cure dependent light absorption and the use of photoabsorbers. These complex physical features of the printing process must be understood in order to properly control printing parameters such as light exposure time, printing speed, and grayscale variations to achieve accurate mechanical properties. In this paper, a photopolymerization reaction–diffusion model is developed and used in conjunction with experiments to investigate the coupled effects of light propagation, chemical reaction rates, and species diffusion during g-DLP 3D printing. The model is implemented numerically utilizing the finite difference method and simulation results are compared to experimental findings of simple printed structures. The agreement between experimental and model predictions of simple quantities of interest, such as geometric feature sizes, shows that the model can capture the overcure due to free-radical and other species diffusion during printing when grayscale patterns are employed. This model lays the groundwork for future extensions that can incorporate more complex coupled physics such as heat transfer, volume shrinkage, and material property evolution, which are critically important in utilizing g-DLP 3D printing for the fabrication of high-performance parts which excellent geometric and material property tolerances.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Baroclinic neutrality and the tropopause

It is noted that the atmosphere has a baroclinically neutral state that permits strong temperature gradients at the ground. In this state, the concentrated potential vorticity gradient at the ground is separated from the concentrated potential vorticity gradient at the tropopause by a region where the potential vorticity gradient is zero. The resulting basic state is analogous to the basic state in the Eady problem. A minimum meridional wavenumber is established by the width of the subtropical jet, and neutrality is established by moving the tropopause to a sufficient height so that the total wavenumber corresponds to the short-wave cutoff in the Eady problem. The resulting height is approximately the observed tropopause height.

Lindzen, Richard S.↗
DOE OSTI2021

Precipitate growth kinetics under inhomogeneous concentration fields using a phase-field model

We investigate precipitation dynamics in the presence of a local solute gradient using phase-field simulations. During the homogenization heat treatment of the solidified Inconel 718 alloy, high Nb concentration within the Laves phases or at the core of the secondary arms results in Nb diffusion into the γ matrix. The volume fraction and spatial distribution of precipitation during subsequent annealing can be controlled by tailoring the Nb concentration gradient in the matrix during homogenization. We use a surrogate Ni-Fe-Nb alloy for Inconel 718 to explore the growth dynamics of δ precipitates related to the local Nb concentration levels. The simulations indicate that in the presence of a Nb concentration gradient the growth rate of δ precipitates is higher than in a matrix of uniform average Nb concentration. The higher growth rate is a result of the higher local thermodynamic driving force at the interface between the solute-rich matrix and the δ interface. Here, we propose a phenomenological model to describe the diffusion-controlled growth kinetics of the δ phase under a solute concentration gradient.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work, we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the “clean and dirty” setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in the concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The battle of clean and dirty qubits in the era of partial error correction

When error correction becomes possible it will be necessary to dedicate a large number of physical qubits to each logical qubit. Error correction allows for deeper circuits to be run, but each additional physical qubit can potentially contribute an exponential increase in computational space, so there is a trade-off between using qubits for error correction or using them as noisy qubits. In this work we look at the effects of using noisy qubits in conjunction with noiseless qubits (an idealized model for error-corrected qubits), which we call the "clean and dirty" setup. We employ analytical models and numerical simulations to characterize this setup. Numerically we show the appearance of Noise-Induced Barren Plateaus (NIBPs), i.e., an exponential concentration of observables caused by noise, in an Ising model Hamiltonian variational ansatz circuit. We observe this even if only a single qubit is noisy and given a deep enough circuit, suggesting that NIBPs cannot be fully overcome simply by error-correcting a subset of the qubits. On the positive side, we find that for every noiseless qubit in the circuit, there is an exponential suppression in concentration of gradient observables, showing the benefit of partial error correction. Finally, our analytical models corroborate these findings by showing that observables concentrate with a scaling in the exponent related to the ratio of dirty-to-total qubits.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Thermocapillary migration of a drop: an exact solution with Newtonian interfacial rheology and stretching/shrinkage of interfacial area elements for small Marangoni numbers

In this paper we analyze the effects of the following phenomena associated with the thermocapillary migration of a drop. The first is the influence of Newtonian surface rheology of the interface and the second is that of the energy changes associated with stretching and shrinkage of the interfacial area elements, when the drop is in motion. The former occurs because of dissipative processes in the interfacial region, such as when surfactant molecules are adsorbed at the interface in sufficient concentration. The interface is typically modeled in this instance by ascribing to it a surface viscosity. This is a different effect from that of interfacial tension gradients arising from surfactant concentration gradients. The stretching and shrinkage of interfacial area elements leads to changes in the internal energy of these elements that affects the transport of energy in the fluids adjoining the interface. When an element on the interface is stretched, its internal energy increases because of the increase in its area. This energy is supplied by the neighboring fluids that are cooled as a consequence. Conversely, when an element on the interface shrinks, the adjoining fluids are warmed. In the case of a moving drop, elements of interfacial area are stretched in the forward half of the drop, and are shrunk in the rear half. Consequently, the temperature variation on the surface of the drop and its migration speed are modified. The analysis of the motion of a drop including these effects was first performed by LeVan in 1981, in the limit when convective transport of momentum and energy are negligible. We extend the analysis of LeVan to include the convective transport of momentum by demonstrating that an exact solution of the momentum equation is obtained for an arbitrary value of the Reynolds number. This solution is then used to calculate the slightly deformed shape of the drop from a sphere.

Rheology/methods↗
DOE OSTI2020

Predicting the Rate of Homogeneous Intermetallic Nucleation within Steep Composition Gradients

Simulations of isothermal homogeneous nucleation from deeply undercooled amorphous melts exhibit systematic variations in nucleation behavior depending upon the strength of an imposed composition gradient. Data from molecular dynamics (MD) simulations in a model Ni/Al system permit quantification of the nucleation rate of the NiAl-B2 intermetallic phase and indicate that nucleation proceeds in a polymorphous mode. The nucleation rate decreases with increasing gradient, and nucleation is completely suppressed above a critical gradient. Based on an argument of crystal nucleus stability, a simple estimate provides good prediction of the critical gradient. Here, a modified classical nucleation model parameterized with thermodynamic and kinetic quantities calculated independently predicts the nucleation rates and their variation with the imposed gradient, matching the MD results very well.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Low-Temperature Oxidation Reactions and Cool Flames at Earth and Reduced Gravity

Non-isothermal studies of cool flames and low temperature oxidation reactions in unstirred closed vessels are complicated by the perturbing effects of natural convection at earth gravity. Buoyant convection due to self-heating during the course of slow reaction produces spatio-temporal variations in the thermal and thus specie concentration fields due to the Arrhenius temperature dependence of the reaction rates. Such complexities have never been quantitatively modeled and were the primary impetus for the development of CSTR's (continuously stirred tank reactors) 30 years ago. While CSTR's have been widely adopted since they offer the advantage of spatial uniformity in temperature and concentration, all gradients are necessarily destroyed along with any structure that may otherwise develop. Microgravity offers a unique environment where buoyant convection can be effectively minimized and the need for stirring eliminated. Moreover, eliminating buoyancy and the need for stirring eliminates complications associated with the induced hydrodynamic field whose influence on heat transport and hot spot formation, hence explosion limits, is not fully realized. The objective of this research is to quantitatively determine and understand the fundamental mechanisms that control the onset and evolution of low temperature reactions and cool flames in both static and flow reactors. Microgravity experiments will be conducted to obtain benchmark data on the structure (spatio-temporal temperature, concentration, flow fields), the dynamics of the chemical fronts, and the ignition diagrams (pressure vs. temperature). Ground-based experiments will be conducted to ascertain the role of buoyancy. Numerical simulations including detailed kinetics will be conducted and compared to experiment.

Pearlman, Howard↗
NASA NTRSDate not supplied

Marangoni effect and its potential utilization in supporting lunar habitats and other extraterrestrial endeavors

Tears of wine is a phenomenon frequently observed as a ring of wine formed near the top of the glass generates droplets that fall back into the wine. This phenomenon can be explained by the Marangoni effect driven by the surface tension created via gradient on concentration and temperature along with the interface between two phases. Besides being observed while drinking wine, the Marangoni effect is crucial for welding metals, manufacturing integrated circuits, and growing crystals; the Marangoni effect might be also crucial in supporting lunar habitats and other extraterrestrial endeavors as vacuum and reduced gravity are expected to augment the Marangoni effect on extraterrestrial molten soil leading to sustainable extraterrestrial in-situ resources utilization (ISRU). Preliminary Marangoni effect assessment on molten lunar regolith was conducted via JSC-1A lunar regolith simulant under vacuum yielding a spontaneous upwards migration of a uniform molten thin-film front that climbed the crucible wall covering the entire wall’s surface and reaching the crucible’s top end. A temperature gradient within the melt’s bulk and along the crucible’s wall generates a surface tension large enough not only to form a meniscus within the three-phase junction (crucible’s wall, bulk melt, and vacuum) but also to supersede the gravitational force to create the upwards migration of a thin film front originated on the meniscus. The observed extensive wettability of the melt with the crucible surface, an additional key factor besides surface tension necessary to sustain upwards migration, is atypical to what it has been witnessed on molten JSC-1A lunar regolith simulant under non-vacuum conditions and smaller sample sizes. The unique formation and self-migration of a thin-film front could enable key ISRU processes such as thin-film coating, crystal growth, and feedstock generation for additive 3D printing. Further assessment on the higher-temperature vacuum-driven decomposition of the uniform thin-film front as it climbed the crucible’s wall revealed a significant decomposition of various simulant’s metal-oxide components into their respective oxygen and metal elements strengthening the feasibility of extraterrestrial generation and fractional separation of oxygen and metals/alloys with none or minimal need for terrestrial precursors. The Marangoni effect assessment on molten JSC-1A lunar regolith simulant clearly opens novel pathways in future extraterrestrial ISRU endeavors including manufacturing and mining. Extraterrestrial mining will require an operational approach completely different from the terrestrial one that heavily relies on not only mechanical excavation and transportation but also post-processing; an in-situ all-in-one process might be feasible via these two coupled phenomena, self-migration and decomposition.

J A Dominguez↗
NASA NTRS2020

Midlatitude Cloud Systems

In contrast to the tropics and subtropics, the middle latitudes are characterised by large meridional temperature gradients, created as a consequence of differential radiative heating between high and low latitudes. These meridional temperature gradients often concentrate in relatively narrow baroclinic zones that become unstable to wave-like perturbations called baroclinic eddies, or more commonly baroclinic storms or midlatitude cyclones. Baroclinic storms constitute the primary source of poleward energy transport at midlatitudes, which is accomplished through contrasting transports of warm air masses poleward (warm fronts) and cold air masses equatorward (cold fronts). Baroclinic storms also flux momentum into midlatitude regions, driving a region of enhanced westerly winds from the surface to the upper troposphere called the eddy-driven jet stream.

Midlatitude clouds↗
DOE OSTI2024

Detonation structure in the presence of mixture stratification using reaction-resolved simulations

Many investigations of detonation-based combustors have identified reactant mixture inhomogeneity as having a leading-order impact on wave dynamics and combustion efficiency. To examine this phenomenon in a simplified context, an array of two- and three-dimensional channel detonation simulations are conducted in the present work. The reactant mixture consists of stratified fuel and air, wherein the randomly distributed equivalence ratio field features a characteristic stratification length scale. Detailed chemical kinetics are implemented in an adaptive mesh refinement solution framework where the region near the shock front is resolved with Ο (100) cells per representative ZND induction length. The results show that in comparison to baseline cases with uniform reactant mixtures, reactant stratification has a marked impact on the detonation structure. Increasing the stratification length scale increases the size and irregularity of the detonation cells, yielding larger variations in wave speed. Triple point collisions in fuel-rich regions lead to local wave speeds above the notional mean CJ speed, but wave passage through inert regions causes the local wave speed and strength to diminish. Further, conditional statistics show that increasing the stratification length scale increases the variance in pressure and temperature in the primary reaction zone, as well as the variance in heat release over a range of mixture conditions. In addition to the reactant mixture, the impact of the boundary condition behind the detonation is also investigated. The results show that an inflow boundary condition acts to over-drive the wave, leading to higher peak pressures, smaller detonation cells, and increased reactant consumption. On the other hand, cases with a wall behind the wave exhibit weaker waves with lower peak pressures and heat release rates, as well as greater variance in conditional quantities. Comparisons between complementary two- and three-dimensional simulations show reasonable qualitative agreement in wave structure, speed, and conditional statistics.

42 ENGINEERING↗
DOE OSTI2022

Comparing measurement of limiting current in block copolymer electrolytes as a function of salt concentration with theoretical predictions

Optimizing electrolyte performance is crucial for the widespread adoption of electrochemical energy storage. We demonstrate that limiting current provides a robust criterion for determining the optimum electrolyte. Experiments were conducted on rigid block copolymer electrolytes comprising mixtures of polystyrene-block-poly(ethylene oxide) copolymer (SEO) and lithium bis(trifluoromethanesulfonyl) imide salt (LiTFSI) over a salt concentration range from r av = 0.04 to r av = 0.20 (r av is the molar ratio of lithium ions to ethylene oxide). Here we show that the maximum limiting current density is 4.3 mA cm –2 at r av = 0.12. The dependence of limiting current on salt concentration is in good agreement with predictions from Newman's concentrated solution theory with no adjustable parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗