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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Supramolecular assemblies of polybenzimidazole and aromatic polycarboxylic acids with superior mechanical and H 2 /CO 2 separation properties

Aromatic polycarboxylic acids complex with imidazoles, forming supramolecular assemblies. Herein, we demonstrate that polybenzimidazole (PBI) can be augmented by aromatic polycarboxylic acids, including phthalic acid (PA), trimesic acid (TMA), and pyromellitic acid (PMA), and the resulting supramolecular assemblies exhibit attractive H 2 /CO 2 separation performance for precombustion carbon capture. The acid doping decreases the free volume and gas permeability but increases H 2 /CO 2 selectivity, which can be correlated with the molar ratio of the protons to PBI repeating units in the assemblies. Increasing the temperature decreases the H 2 /CO 2 selectivity because of weakened interactions. When challenged with model gas mixtures, a supramolecular assembly based on TMA shows H 2 /CO 2 separation properties superior to state-of-the-art materials and above Robeson's upper bound. Furthermore, this study elucidates the fruitful harnessing of dynamic non-covalent bonds to design robust and highly selective membranes for industrial gas separations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Lagrangian dynamics of particle transport in oral and nasal breathing

Here, we present a large-eddy simulation (LES) of saliva particle transport during normal human breathing through the nose and mouth. The flow of the air–saliva mixture is modeled using an Eulerian LES that is coupled with a Lagrangian particle tracking module to obtain trajectories of saliva particles in a room with stagnant air conditions. The coupled Eulerian–Lagrangian simulation yields novel insights into the intricate dynamics of Lagrangian coherent structures (LCS) and fundamental material lines that emerge from the saliva particles' trajectories during several breathing cycles. Further, we systematically compare the quantitative LCS diagnostics of mouth breathing with those of mouth and nose normal breathing. Analyzing the simulation results of human breathing from the mouth and nose, we show that, soon after the first breathing cycle, saliva particles form a series of roll-up vortex rings that propagate forward. The forward propagation of these vortex rings leads to the formation of an asymmetrical primary forefront vortex. The individual vortex rings continuously propagate forward, merging with the forefront vortex, and ascending along the limb of the leading vortex.

42 ENGINEERING↗
DOE OSTI2025

Expansion dynamics of femtosecond laser-induced plasmas: Influence of thermophysical plasma properties

This study investigates the expansion dynamics of femtosecond laser-induced plasmas, emphasizing the impact of plasma thermophysical properties and ambient gas composition. Through shadowgraphy experiments and multiphase computational fluid dynamics (CFD) simulations, the influence of parameters such as heat capacity, molecular weight, and thermal conductivity on plume morphology, shockwave evolution, and energy dissipation mechanisms is examined. A mixture multiphase model is implemented to capture the interaction between the plasma and the surrounding gas. Simulation results reveal that plasma expansion is strongly inertia-driven. Results show that differences in plasma properties and ambient conditions affect the shape and temperature distribution of the expanding plume. The early-stage dynamics are primarily dictated by pressure forces, whereas thermal and viscous effects play a growing role in the plume's behavior during later stages of expansion. The CFD findings show the necessity of accurate initial condition characterization, including crater geometry and plasma pressure and temperature, for reliable modeling of plasma evolution in laser ablation processes.

CFD modeling↗
DOE OSTI2024

Sum-of-Fractions Methodology for Actinides in Water- and Polyethylene-Moderated and -Reflected Systems

Sum-of-fractions is a method intended to make sure a subcritical margin for aqueous solutions and slurries of fissionable isotopes exists. The method indicates that a system is subcritical if the sum of the ratios of the mass of each isotope (in a mixture) to its individual minimum subcritical mass limit is less than or equal to one. Historically, the basis of the sum-of-fractions has been derived from allowances given in the American National Standards Institute (ANSI)/ American Nuclear Society (ANS)-8.15-1981. However, the allowance was removed in ANSI/ANS-8.15-2014 due to a lack of technical basis. A methodology was developed to assess the validity of using the sum-of-fractions for water- or polyethylene-moderated systems for the following nuclides: 232 U, 233 U, 234 U, 235 U, 237 Np, 236 Pu, 238 Pu, 239 Pu, 240 Pu, 241 Pu, 242 Pu, 241 Am, 242 m Am, 243 Am, 242 Cm, 243 Cm, 244 Cm, 245 Cm, 246 Cm, 247 Cm, 249 Cf, and 251 Cf. The methodology uses available benchmark data for mixtures of 233 U, 235 U, and 239 Pu to establish the calculational margin, and a mass limit reduction to establish the margin of subcriticality. Water- or polyethylene-moderated and -reflected mixtures containing the nuclides are evaluated with the code system, SCALE 6.2.4. Including the calculational margin, subcritical mass limits for each nuclide were computed for optimally water- or polyethylene-moderated and fully reflected systems. These masses were used to create nuclide mixtures in which the sum of the mass to subcritical mass limit ratios is one. The various nuclide mixtures were modeled over a range of moderation and demonstrate the keff does not exceed the calculational margin. For additional assurance of subcriticality, a significant mass reduction is applied to each computed minimum critical mass of the nuclides without adequate benchmark data consistent with the method in ANSI/ANS-8.15-2014.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗
NASA NTRS1974

Breccia 66055 and related clastic materials from the Descartes region, Apollo 16

Trace and major element contents obtained by instrumental neutron activation are reported for a number of Apollo 16 soil samples and miscellaneous breccia fragments. In addition, data obtained by instrumental neutron activation and electron microprobe techniques along with petrographic descriptions are presented for selected subsamples of breccia 66055. The compositions of our soil samples can be modeled by mixtures of various amounts of anorthosite, anorthositic gabbro and low-K Fra Mauro basalt components. These mixtures are typical of those found in a number of petrographic surveys of the fines. Breccia 66055 is a complex regolith breccia which consists of at least four distinct types of microbreccias. No systematic relation with respect to stratigraphic age among the various microbreccia types was observed. Compositionally and texturally, the clasts which compose breccia 66055 are similar to a number of previously reported rock types from the Apollo 16 area. The entire breccia appears to have undergone a complex history of thermal metamorphism. We conclude from the study of these samples that the Cayley Formation is probably homogeneous in its gross compositional and petrographic aspects.

Fruchter, J. S.↗
NASA NTRS1983

High performance liquid chromatographic hydrocarbon group-type analyses of mid-distillates employing fuel-derived fractions as standards

Two high performance liquid chromatographic (HPLC) methods have been developed for the determination of saturates, olefins and aromatics in petroleum and shale derived mid-distillate fuels. In one method the fuel to be analyzed is reacted with sulfuric acid, to remove a substantial portion of the aromatics, which provides a reacted fuel fraction for use in group type quantitation. The second involves the removal of a substantial portion of the saturates fraction from the HPLC system to permit the determination of olefin concentrations as low as 0.3 volume percent, and to improve the accuracy and precision of olefins determinations. Each method was evaluated using model compound mixtures and real fuel samples.

Seng, G. T.↗
NASA NTRS1988

Modelling ignition characteristics of rich H2/O2 mixture in a monolithic catalytic reactor

Ignition of rich hydrogen-oxygen mixture in a monolithic catalytic reactor is studied using a transient combustion model. The model assumes a quasi-steady gas phase and a thermally-thin substrate. The ignition time lag is due to the thermal inertia of the substrate. One-step global chemical reaction is assumed both on the surface and in the gas phase. An effectiveness factor is introduced to account for the transition from a kinetically-limited catalytic surface reaction to a diffusion-limit one during ignition. Results presented include a catalytic ignition boundary, ignition delay time and the transient response in the catalytic bed.

Tien, Ta-Ching↗
NASA NTRS1993

Multiple solutions in a rotating annulus flow model

A series of numerical experiments is conducted for rotating annulus flow using Miller et al.'s (1992) Geophysical Flow Simulation (GFS) model; a mixture of 25-percent upwind-differencing and 75-percent center-differencing is employed to approximate the temperature advective terms. Attention is given to the wavenumber selection time and wavenumber regimes, the sensitivity in the wavenumber transition regions, and hysteresis and irregular wavenumber selections.

Lu, Huei-Iin↗
NASA NTRS1995

High-pressure combustion of binary fuel sprays

The ultimate objective of this study is to obtain fundamental information relevant to combustion processes that occur in fuel sprays of practical interest at high pressures in internal combustion engines. Since practical fuels are multicomponent and derived from petroleum, the present work involves the model alkane mixture of n-heptane and n-hexadecane. Since burning droplets in sprays can interact with each other, the present work involves investigation of the effects of this interaction on flame shapes and droplet burning times. The small droplets in practical combustion chambers are not significantly influenced by buoyancy. Since such small droplets are difficult to study experimentally, the present work takes advantage of microgravity to lessen buoyancy and enable information about droplet interactions to be obtained by studying larger droplets. The results are intended to provide fundamental understanding that can be used in improving descriptions of practical spray combustion.

Mikami, Masato↗
NASA NTRS1994

Numerical Simulations of High-Speed Chemically Reacting Flow

The Essentially NonOscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗
NASA NTRS1994

Numerical Simulations of High-Speed Chemically Reacting Flow

The essentially nonoscillatory (ENO) shock-capturing scheme for the solution of hyperbolic equations is extended to solve a system of coupled conservation equations governing two-dimensional, time-dependent, compressible chemically reacting flow with full chemistry. The thermodynamic properties of the mixture are modeled accurately, and stiff kinetic terms are separated from the fluid motion by a fractional step algorithm. The methodology is used to study the concept of shock-induced mixing and combustion, a process by which the interaction of a shock wave with a jet of low-density hydrogen fuel enhances mixing through streamwise vorticity generation. Test cases with and without chemical reaction are explored here. Our results indicate that, in the temperature range examined, vorticity generation as well as the distribution of atomic species do not change significantly with the introduction of a chemical reaction and subsequent heat release. The actual diffusion of hydrogen is also relatively unaffected by the reaction process. This suggests that the fluid mechanics of this problem may be successfully decoupled from the combustion processes, and that computation of the mixing problem (without combustion chemistry) can elucidate much of the important physical features of the flow.

Ton, V. T.↗
NASA NTRS1997

Moessbauer Mineralogy on the Moon: The Lunar Regolith

A first-order requirement for spacecraft missions that land on solid planetary objects is instrumentation for mineralogical analyses. For purposes of providing diagnostic information about naturally-occurring materials, the element iron is particularly important because it is abundant and multivalent. Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present and provides information about formation and modification (weathering) processes. Because Moessbauer spectroscopy is sensitive to both the valence of iron and its local chemical environment, the technique is unique in providing information about both the relative abundance of iron-bearing phases and oxidation state of the iron. The Moessbauer mineralogy of lunar regolith samples (primarily soils from the Apollo 16 and 17 missions to the Moon) were measured in the laboratory to demonstrate the strength of the technique for in situ mineralogical exploration of the Moon. The regolith samples were modeled as mixtures of five iron-bearing phases: olivine, pyroxene, glass, ilmenite, and metal. Based on differences in relative proportions of iron associated with these phases, volcanic ash regolith can be distinguished from impact-derived regolith, impact-derived soils of different geologic affinity (e.g., highlands, maria) can be distinguished on the basis of their constituent minerals, and soil maturity can be estimated. The total resonant absorption area of the Moessbauer spectrum can be used to estimate total FeO concentrations.

Morris, Richard V.↗
NASA NTRS2001

[Cosmochemical Studies]

Much of our research involves the chemical characterization of iron meteorites, and discussion of their origins. Wasson (1999a) used an extensive set of data on irons from the magmatic group IIIAB (including planimetric determinations of S in 23 irons) to show that the irons in this group can be modeled as mixtures of equilibrium solid and melt, and that the inferred fraction of trapped melt varies widely, from a few per cent to >80 per cent. The main group pallasites are closely related to the IIIAB irons. Wasson et al. (1999) described massive chromite in the Brenham pallasite and discussed possible formation mechanisms and implications for D(sub Cr). Sugiura et al. (2000) reported concentration and isotopic data for N and C in IIIE irons, and also showed that these are resolved from IIIAB irons on Ga-Au and Co-Au diagrams. Wasson and Richardson (2001) analyzed 45 irons from group IVA, also a magmatic group, and demonstrated that important insights are gained by comparisons with the IIIAB data set; the initial D(sub ir), D(sub Au), and D(sub As) values were all substantially lower in IVA than in IIIAB, apparently because the initial S (and P) contents were much (approximately equals 6x) lower in the IVA magma than in the IIIAB magma. Wasson and Kallemeyn (2001) carried out a new, comprehensive evaluation of IAB and closely related irons including those formerly called IIICD; they found that there are five "satellite" subgroups showing compositional trends parallel to those in IAB. The Birch et al. (2001) paper describes Willow Grove, a new volatile-poor, Ni-rich ungrouped iron that is closely related to Tishomingo, and possibly, as suggested for the IAB irons, the product of impact melting.

Wasson, John T.↗
NASA NTRS2002

Report of the Workshop on Unmixing the SNCs: Chemical, Isotopic, and Petrologic Components of Martian Meteorites

Geochemical and petrologic studies of the Martian meteorites (nicknamed the SNCs) have proliferated in the past few years, from a wealth of new samples and the perfection of new analytical methods. An intriguing result from these studies is that the chemical and isotopic compositions of the Martian meteorites, all basalts or derived from basaltic magma, can be modeled as mixtures of a limited number of components. These mixing components were the focus of the workshop.

Treiman, Allan H.↗
NASA NTRS2013

Integrated Main Propulsion System Performance Reconstruction Process/Models

The Integrated Main Propulsion System (MPS) Performance Reconstruction process provides the MPS post-flight data files needed for postflight reporting to the project integration management and key customers to verify flight performance. This process/model was used as the baseline for the currently ongoing Space Launch System (SLS) work. The process utilizes several methodologies, including multiple software programs, to model integrated propulsion system performance through space shuttle ascent. It is used to evaluate integrated propulsion systems, including propellant tanks, feed systems, rocket engine, and pressurization systems performance throughout ascent based on flight pressure and temperature data. The latest revision incorporates new methods based on main engine power balance model updates to model higher mixture ratio operation at lower engine power levels.

Lopez, Eduardo↗