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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Diffusion Flame Stabilization

Diffusion flames are commonly used for industrial burners in furnaces and flares. Oxygen/fuel burners are usually diffusion burners, primarily for safety reasons, to prevent flashback and explosion in a potentially dangerous system. Furthermore, in most fires, condensed materials pyrolyze, vaporize, and burn in air as diffusion flames. As a result of the interaction of a diffusion flame with burner or condensed-fuel surfaces, a quenched space is formed, thus leaving a diffusion flame edge, which plays an important role in flame holding in combustion systems and fire spread through condensed fuels. Despite a long history of jet diffusion flame studies, lifting/blowoff mechanisms have not yet been fully understood, compared to those of premixed flames. In this study, the structure and stability of diffusion flames of gaseous hydrocarbon fuels in coflowing air at normal earth gravity have been investigated experimentally and computationally. Measurements of the critical mean jet velocity (U(sub jc)) of methane, ethane, or propane at lifting or blowoff were made as a function of the coflowing air velocity (U(sub a)) using a tube burner (i.d.: 2.87 mm). By using a computational fluid dynamics code with 33 species and 112 elementary reaction steps, the internal chemical-kinetic structures of the stabilizing region of methane and propane flames were investigated. A peak reactivity spot, i.e., reaction kernel, is formed in the flame stabilizing region due to back-diffusion of heat and radical species against an oxygen-rich incoming flow, thus holding the trailing diffusion flame. The simulated flame base moved downstream under flow conditions close to the measured stability limit.

Takahashi, Fumiaki↗
DOE OSTI2026

A mechanistic, multiscale model for predicting Pd penetration in TRISO fuels using BISON

TRistructural ISOtropic (TRISO) particles use silicon carbide (SiC) as the primary structural member and barrier against metallic fission product (FP) release. palladiums (PDs), produced by fission in the fuel kernel, can diffuse to and chemically interact with the SiC layer, degrading its structural integrity and ability to contain radioactive FPs. Existing temperature-dependent correlations for predicting Pd penetration rely on experimental data with significant scatter due to varying conditions, potentially complicating ongoing fuel qualification and licensing efforts for advanced reactors that would subject TRISO fuels to operating conditions outside of those examined in the experiments. A mechanistic model of Pd production, transport, and reaction is developed in this work to better understand and predict PD attack of SiC in TRISO particles. molecular dynamicss (MDs) simulations are utilized to calculate the Pd diffusivity in SiC grain bulk and grain boundaries. A mesoscale phase-field diffusion model, informed by the MD diffusivities, is used to develop a reduced order model (ROM) for the effect of SiC microstructure on the Pd penetration rate. The engineering scale BISON model calculates Pd production and transport, utilizing the ROM to predict penetration rates consistent with experimental data. This novel mechanistic ROM captures the effect of temperature, microstructure, and irradiation history on Pd penetration. In conclusion, these new capabilities are expected to support ongoing qualification and licensing efforts associated with near-term TRISO-fueled reactor applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Data Needs for Modeling Low-Temperature Non-Equilibrium Plasmas: The LXCat Project, History, Perspectives and a Tutorial

Technologies based on non-equilibrium, low-temperature plasmas are ubiquitous in today’s society. Plasma modeling plays an essential role in their understanding, development and optimization. An accurate description of electron and ion collisions with neutrals and their transport is required to correctly describe plasma properties as a function of external parameters. LXCat is an open-access, web-based platform for storing, exchanging and manipulating data needed for modeling the electron and ion components of non-equilibrium, low-temperature plasmas. The data types supported by LXCat are electron- and ion-scattering cross-sections with neutrals (total and differential), interaction potentials, oscillator strengths, and electron- and ion-swarm/transport parameters. Online tools allow users to identify and compare the data through plotting routines, and use the data to generate swarm parameters and reaction rates with the integrated electron Boltzmann solver. In this review, the historical evolution of the project and some perspectives on its future are discussed together with a tutorial review for using data from LXCat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2007

Diffusion Flame Stabilization

Diffusion flames are commonly used for industrial burners in furnaces and flares. Oxygen/fuel burners are usually diffusion burners, primarily for safety reasons, to prevent flashback and explosion in a potentially dangerous system. Furthermore, in most fires, condensed materials pyrolyze, vaporize, and burn in air as diffusion flames. As a result of the interaction of a diffusion flame with burner or condensed-fuel surfaces, a quenched space is formed, thus leaving a diffusion flame edge, which plays an important role in flame holding in combustion systems and fire spread through condensed fuels. Despite a long history of jet diffusion flame studies, lifting/blowoff mechanisms have not yet been fully understood, compared to those of premixed flames. In this study, the structure and stability of diffusion flames of gaseous hydrocarbon fuels in coflowing air at normal earth gravity have been investigated experimentally and computationally. Measurements of the critical mean jet velocity (U(sub jc)) of methane, ethane, or propane at lifting or blowoff were made as a function of the coflowing air velocity (U(sub a)) using a tube burner (i.d.: 2.87 mm) (Fig. 1, left). By using a computational fluid dynamics code with 33 species and 112 elementary reaction steps, the internal chemical-kinetic structures of the stabilizing region of methane and propane flames were investigated (Fig. 1, right). A peak reactivity spot, i.e., reaction kernel, is formed in the flame stabilizing region due to back-diffusion of heat and radical species against an oxygen-rich incoming flow, thus holding the trailing diffusion flame. The simulated flame base moved downstream under flow conditions close to the measured stability limit.

Takahashi, Fumiaki↗
NASA NTRS2006

Geochemistry of Pallasite Olivines and the Origin of Main-Group Pallasites

Main-group pallasites (PMG) are mixtures of iron-nickel metal and magnesian olivine thought to have been formed at the core-mantle boundary of an asteroid [1]. Some have anomalous metal compositions (PMG-am) and a few have atypically ferroan olivines (PMG-as) [2]. PMG metal is consistent with an origin as a late fractionate of the IIIAB iron core [2]. Most PMG olivines have very similar Fe/Mg ratios, likely due to subsolidus redox reaction with the metal [3]. In contrast, minor and trace elements show substantial variation, which may be explained by either: (i) PMG were formed at a range of depths in the parent asteroid; the element variations reflect variations in igneous evolution with depth, (ii) the pallasite parent asteroid was chemically heterogeneous; the heterogeneity partially survived igneous processing, or (iii) PMG represent the core-mantle boundaries of several distinct parent asteroids [4, 5]. We have continued doing major, minor and trace elements by EMPA and INAA on a wider suite of PMG olivines, and have begun doing precise oxygen isotope analyses to test these hypotheses. Manganese is homologous with Fe(2+), and can be used to distinguish between magmatic and redox processes as causes for Fe/Mg variations. PMG olivines have a range in molar 1000*Mn/Mg of 2.3-4.6 indicating substantial igneous fractionation in olivines with very similar Fe/Mg (0.138-0.148). The Mg-Mn-Fe distributions can be explained by a fractional crystallization-reduction model; higher Mn/Mg ratios reflect more evolved olivines while Fe/Mg is buffered by redox reactions with the metal. There is a positive association between Mn/Mg and Sc content that is consistent with igneous fractionation. However, most PMG olivines fall within a narrow Mn/Mg range (3.0-3.6), but these show a substantial range in Sc (1.00-2.29 micro-g/g). Assuming fractional crystallization, this Sc range could have resulted from approx.65% crystallization of an ultramafic magma. This is inconsistent with formation at the core-mantle boundary of a single asteroid [4]. One alternative is that the PMG are fragments of several asteroids, and these could have had different initial Sc contents, Mn/Mg and differences in igneous history. Our preliminary O isotope data and those of [6, 7] do not support this, although the coverage of PMG olivines is incomplete. The PMG-as Springwater is not easily fit in any scenario. Its olivine has among the highest Mn/Mg suggesting it is one of the most evolved, but the lowest Sc content suggesting it is the least evolved. The O isotopic composition of Springwater olivine is the same as that of other PMG. Thus there is no indication that it represents a distinct parent asteroid. Our preliminary O isotopic data favor a single PMG parent asteroid. In this case, the olivines are more likely melt-residues, and that the parent asteroid was initially heterogeneous in chemical, but not isotopic, composition.

Mittlefehldt, D. W.↗
DOE OSTI2020

Modeling batch melting: Roles of heat transfer and reaction kinetics

Development of mathematical models of heat and mass transfer in glass-melting furnaces began in the 1970s and progressed rapidly with advances in sophisticated experimental/numerical techniques and increasing computational power. Today, practically all newly built or rebuilt furnaces are optimized with these models to meet stringent quality requirements, reduce the unit costs of manufacturing, or control emissions. One remaining hurdle is to model the batch-to-glass conversion accurately enough to reliably assess the glass production rate. This article summarizes two key aspects of the batch-conversion modeling—the heat transfer and the kinetics of conversion—and reviews the current state-of-the-art approaches to simulating them. We critically examine the advantages of the commonly used heat transfer approach, but also explain that its predictive capabilities are significantly restricted by the dependence of batch thermal properties on the time-temperature history. We argue that kinetic approaches to the batch-conversion modeling would offer a significant improvement when coupled with the heat transfer approach. Finally, we summarize key areas requiring further research on the way toward a realistic model of the batch blanket.

Pokorny, Richard↗
DOE OSTI2026

Improvement of Drop‐Hammer Impact Testing for Safety Assessment of High Explosives Using 10‐mg Samples

Here, in this study, we established an improved method for drop-hammer impact testing of small quantities of high explosives (10 mg). We performed about seven hundred impact tests under various experimental conditions (e.g., sandpaper vs bare anvil, different sample masses, drop-weights, and striker diameters) to determine an optimal set of conditions and reaction detection methods (e.g., gas analysis, video, and sound recordings) that give the most statistically reliable results with 10 mg samples. We used both Frequentist and Bayesian statistical approaches to compare estimates of the drop height (DH50) that initiates a reaction 50% of the time, and to quantify the associated uncertainty. Gas analysis proved to be the most reliable reaction detection method, showing unambiguous rises in HE decomposition products (e.g., CO 2 ) even when the other indicators (e.g., sound, video) were inconclusive. The impact tests performed with a bare anvil showed much better reproducibility than those conducted with sandpaper, reducing the largest uncertainty observed in the data sets by a factor of 1.7. The DH 50 values obtained from three different sample masses (10, 20, and 35 mg) fell within the uncertainties of the measurements. We demonstrated the improved procedure (i.e., 10-mg samples, gas analysis, bare anvil, and Bayesian approach) on a variety of PETN samples having different surface areas and thermal histories.

PETN↗
DOE OSTI2020

Prospects and limitations for constraining light relics with primordial abundance measurements

The light relic density affects the thermal and expansion history of the early Universe, leaving a number of observable imprints. We focus on the primordial abundances of light elements produced during the process of big bang nucleosynthesis that are influenced by the light relic density. Primordial abundances can be used to infer the density of light relics and thereby serve as a probe of physics beyond the standard model. We calculate the observational uncertainty on primordial light element abundances and associated quantities that would be required in order for these measurements to achieve sensitivity to the light relic density comparable to that anticipated from upcoming cosmic microwave background surveys. We identify the nuclear reaction rates that need to be better measured to maximize the utility of future observations. In this work, we show that improved measurements of the primordial helium-4 abundance can improve constraints on light relics, while more precise measurements of the primordial deuterium abundance are unlikely to be competitive with cosmic microwave background measurements of the light relic density.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Report on concentrations, lifetimes, and trends of CFCs, halons, and related species

The atmospheric lifetimes of molecules containing chlorine and bromine are the dominant parameters influencing their ability to promote enhanced ozone destruction in the stratosphere. The purpose of this report is to assess the present state of knowledge of the lifetimes of halocarbons using two complementary approaches. First, a time series of measurements of gas concentrations is used together with information on their emissions histories and a computational model of atmospheric circulation and chemistry to infer lifetimes through a mass balance approach. Second, an atmospheric chemical-dynamical model is used with detailed information on the chemistry and spectroscopy of the molecules of interest to calculate lifetimes. The lifetimes determined by these two methods are then compared. Attention is focused most closely on fully halogenated chlorine- and bromine-containing molecules, primarily the chlorofluorocarbons, and the halons, because of their ability to deliver chlorine and bromine to the stratosphere. Some attention will be given to those molecules containing hydrogen, which are subject to removal in the troposphere primarily by reaction with OH and by other processes.

Kaye, J. A.↗
NASA NTRS2014

Scratching the Surface of Martian Habitability

Earth and Mars, though formed at the same time from the same materials, look very different today. Early in their histories they evolved through some of the same processes, but at some point their evolutionary paths diverged, sending them in perhaps irrevocably different directions. Knowledge of the factors that contributed to such different outcomes will help to determine how planets become habitable and how common habitable planets may be. The Mars surface environment is harsh today, but in situ measurements of ancient sedimentary rock by Mars Science Laboratory reveal chemical and mineralogical evidence of past conditions that might have been more favorable for life to exist. But chemistry is only part of what is required to make an environment habitable. Physical conditions constrain the chemical reactions that underlie life processes; the chemical and physical characteristics that make planets habitable are thus entangled.

Mars rover↗
NASA NTRS2002

Skeletal Adaptation to Daily Activity: A Biochemical Perspective

Musculoskeletal forces generated by normal daily activity on Earth maintain the functional and structural properties of muscle and bone throughout most of one's adult life. A reduction in the level of cumulative daily loading caused by space flight, bed rest or spinal cord injury induces rapid muscle atrophy, functional changes in muscle, and bone resorption in regions subjected to the reduced loading. Bone cells in culture and bone tissue reportedly respond to a wide variety of non-mechanical and mechanical stimuli ranging, from electromagnetic fields, and hormones to small amplitude, high frequency vibrations, fluid flow, strain rate, and stress/strain magnitude. However, neither the transduction mechanism that transforms the mechanical input into a muscle or bone metabolic response nor the characteristics, of the loading history that directly or indirectly stimulates the cell is known. Identifying the factors contributing to the input stimulus will have a major impact on the design of effective countermeasures for long duration space flight. This talk will present a brief overview of current theories of bone remodeling and functional adaptation to mechanical loading. Work from our lab will be presented from the perspective of daily cumulative loading on Earth and its relationship to bone density and structure. Our objective is to use the tibia and calcaneus as model bone sites of cortical and cancellous bone adaptation, loaded daily by musculoskeletal forces in equilibrium with the ground reaction force. All materials that will be discussed are in the open scientific literature.

Whalen, Robert T.↗
NASA NTRS2013

Nuclear Propulsion for Space Applications

Basics of Nuclear Systems: Long history of use on Apollo and space science missions. 44 RTGs and hundreds of RHUs launched by U.S. during past 4 decades. Heat produced from natural alpha (a) particle decay of Plutonium (Pu-238). Used for both thermal management and electricity production. Used terrestrially for over 65 years. Fissioning 1 kg of uranium yields as much energy as burning 2,700,000 kg of coal. One US space reactor (SNAP-10A) flown (1965). Former U.S.S.R. flew 33 space reactors. Heat produced from neutron-induced splitting of a nucleus (e.g. U-235). At steady-state, 1 of the 2 to 3 neutrons released in the reaction causes a subsequent fission in a "chain reaction" process. Heat converted to electricity, or used directly to heat a propellant. Fission is highly versatile with many applications.

Houts, M. G.↗
NASA NTRS2011

Attitude Determination and Control Subsystem (ADCS) Preparations for the EPOXI Flyby of Comet Hartley 2

On November 4, 2010 the former "Deep Impact" spacecraft, renamed "EPOXI" for its extended mission, flew within 700km of comet 103P/Hartley 2. In July 2005, the spacecraft had previously imaged a probe impact of comet Tempel 1. The EPOXI flyby was the fifth close encounter of a spacecraft with a comet nucleus and marked the first time in history that two comet nuclei were imaged at close range with the same suite of onboard science instruments. This challenging objective made the function of the attitude determination and control subsystem (ADCS) critical to the successful execution of the EPOXI flyby.As part of the spacecraft flyby preparations, the ADCS operations team had to perform meticulous sequence reviews, implement complex spacecraft engineering and science activities and perform numerous onboard calibrations. ADCS contributions included design and execution of 10 trajectory correction maneuvers, the science calibration of the two telescopic instruments, an in-flight demonstration of high-rate turns between Earth and comet point, and an ongoing assessment of reaction wheel health. The ADCS team was also responsible for command sequences that included updates to the onboard ephemeris and sun sensor coefficients and implementation of reaction wheel assembly (RWA) de-saturations.

attitude determination and control↗
NASA NTRS2020

Microstructural and Isotopic Constraints on WL Rim Formation

Coordinated microanalyses of Wark-Lovering (WL) rims are needed to best understand their origin and to decipher their subsequent evolution both in the nebular and parent body settings. Here we present the mineralogy, petrology, microstructures, O isotopic compositions, and Al-Mg systematics of a WL rim on a Type B CAI, ‘‘Big Guy”, from the reduced CV3 chondrite Vigarano [1]. Our SEM and TEM study reveals seven distinct mineral layers in the WL rim that include: (1) gehlenite with rare grossite, (2) hibonite, (3) spinel with minor hibonite and perovskite, (4) zoned melilite (Åk(sub ~0-10)), (5) anorthite, (6) zoned diopside grading outwards from Al,Ti-rich to Al,Tipoor, and (7) forsterite intergrown with diopside. We infer a two-stage history in which WL rim formation was initiated by flash melting and extensive evaporation of the original inclusion edge, followed by subsequent condensation under highly dynamic conditions. The outermost edge of the CAI mantle is mineralogically and texturally distinct compared to the underlying mantle that is composed of coarse, zoned melilite (Åk(sub ~10-60)) grains. The mantle edge contains finegrained gehlenite with hibonite and rare grossite that likely formed by rapid crystallization from a Ca,Al-rich melt produced during a flash vaporization event [2]. These gehlenite and hibonite layers are surrounded by successive layers of spinel, melilite, diopside, and forsterite, indicating their sequential gas-solid reactions onto hibonite. Anorthite occurs as a discontinuous layer that corrodes adjacent melilite and Al-diopside, and appears to have replaced them [3,4], probably even later than the forsterite layer formation. All the WL rim minerals analyzed using the JSC NanoSIMS 50L are 16O-rich (Δ17O ≈ −23‰), indicating their formation in an 16O-rich gas reservoir. Our data are in contrast with many CV CAIs that show heterogeneous Δ 17O values across their WL rims [5]. Our Al-Mg data obtained using the UCLA ims-1290 ion microprobe of the CAI interior and the WL rim define a well-correlated isochron with (26Al/27Al)(sub 0) = 4.94 × 10(exp −5), indicating their synchronous formation ≤5 × 10(exp 4) years after the canonical CAI value. In contrast, no 26Mg excesses are observed in the WL rim anorthite, which suggests its later formation or later isotopic resetting in an 16O-rich gas reservoir, after 26Al had decayed.

Han, J.↗
DOE OSTI2023

Model validation and selection in metabolic flux analysis and flux balance analysis

13C-Metabolic Flux Analysis (13C-MFA) and Flux Balance Analysis (FBA) are widely used to investigate the operation of biochemical networks in both biological and biotechnological research. Both methods use metabolic reaction network models of metabolism operating at steady state so that reaction rates (fluxes) and the levels of metabolic intermediates are constrained to be invariant. They provide estimated (MFA) or predicted (FBA) values of the fluxes through the network in vivo, which cannot be measured directly. These fluxes can shed light on basic biology and have been successfully used to inform metabolic engineering strategies. Several approaches have been taken to test the reliability of estimates and predictions from constraint-based methods and to compare alternative model architectures. Despite advances in other areas of the statistical evaluation of metabolic models, such as the quantification of flux estimate uncertainty, validation and model selection methods have been underappreciated and underexplored. We review the history and state-of-the-art in constraint-based metabolic model validation and model selection. Applications and limitations of the χ 2 -test of goodness-of-fit, the most widely used quantitative validation and selection approach in 13C-MFA, are discussed, and complementary and alternative forms of validation and selection are proposed. A combined model validation and selection framework for 13C-MFA incorporating metabolite pool size information that leverages new developments in the field is presented and advocated for. Finally, we discuss how adopting robust validation and selection procedures can enhance confidence in constraint-based modeling as a whole and ultimately facilitate more widespread use of FBA in biotechnology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films

Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1981

Origin of Ca-Al-rich inclusions. II - Sputtering and collisions in the three-ph8se interstellar medium

The theory put forward by Clayton (1977) for the formation of the Ca-Al-rich inclusions within C3 meteorites is extended to an evolutionary history in a three-phase interstellar medium. Widespread supersonic turbulence in the hot interstellar medium is maintained by supernova shock waves, giving rise to heavy sputtering of the refractory dust. Subsequent reaccumulation with varying dust/gas ratios or varying particle sizes produces isotopically fractionated Ca-Al-rich accumulates. It is thought that the Ca-Al-rich inclusions themselves are formed by the following sequence in the solar system: (1) cold accumulation of larger-than-average Ca-Al-rich particles containing supernova condensate cores into macroscopic (approximately 1 cm) Ca-Al-rich agglomerates, probably by sedimentation; and (2) fusion of the supernova condensates into macroscopic minerals by exothermic chemical reactions that begin when the accumulate has been warmed, thereby releasing energy from the unequilibrated forms accumulated from the interstellar medium.

Clayton, D. D.↗
NASA NTRS1992

Mars atmosphere evolution: Escape to space

The loss mechanisms and the rates of escape, to space, of Martian atmosphere constituents have changed throughout the history of the solar system. For the first billion years, Mars' atmosphere escape was probably dominated by impact erosion related to the presence of debris left over from the accretionary phase. This loss was further augmented by hydrodynamic outflows related to the presence of an early denser atmosphere and a sun that was brighter in the EUV wavelengths. Following this initial 'catastrophic' phase, during which a large fraction of the original atmosphere was lost but then replaced by volcanism and cometary impact, the 'modern' loss mechanisms which still operate today would have taken over. Those mechanisms that now contribute to escape to space consist of classical thermal or Jeans escape, nonthermal escape due to chemical reaction in the atmosphere, and solar wind-related losses. Both the loss mechanisms and the rates of escape are discussed.

Luhmann, J. G.↗