Search NASA⌕ Search

SEARCH · Search NASA

Results for “range decomposition”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Effect of elevation, season and accelerated snowmelt on biogeochemical processes during isolated conifer needle litter decomposition

Increased drought and temperatures associated with climate change have implications for ecosystem stress with risk for enhanced carbon release in sensitive biomes. Litter decomposition is a key component of biogeochemical cycling in terrestrial ecosystems, but questions remain regarding the local response of decomposition processes to climate change. This is particularly complex in mountain ecosystems where the variable nature of the slope, aspect, soil type, and snowmelt dynamics play a role. Hence, the goal of this study was to determine the role of elevation, soil type, seasonal shifts in soil moisture, and snowmelt timing on litter decomposition processes. Experimental plots containing replicate deployments of harvested lodgepole and spruce needle litter alongside needle-free controls were established in open meadows at three elevations ranging from 2,800–3,500 m in Crested Butte, Colorado. Soil biogeochemistry variables including gas flux, porewater chemistry, and microbial ecology were monitored over three climatically variable years that shifted from high monsoon rains to drought. Results indicated that elevation and soil type influenced baseline soil biogeochemical indicators; however, needle mass loss and chemical composition were consistent across the 700 m elevation gradient. Rates of gas flux were analogously consistent across a 300 m elevation gradient. The additional variable of early snowmelt by 2–3 weeks had little impact on needle chemistry, microbial composition and gas flux; however, it did result in increased dissolved organic carbon in lodgepole porewater collections suggesting a potential for aqueous export. In contrast to elevation, needle presence and seasonal variability of soil moisture and temperature both played significant roles in soil carbon fluxes. Furthermore, during a pronounced period of lower moisture and higher temperatures, bacterial community diversity increased across elevation with new members supplanting more dominant taxa. Microbial ecological resilience was demonstrated with a return to pre-drought structure and abundance after snowmelt rewetting the following year. These results show similar decomposition processes across a 700 m elevation gradient and reveal the sensitivity but resilience of soil microbial ecology to low moisture conditions.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2001

MEMS-Based Satellite Micropropulsion Via Catalyzed Hydrogen Peroxide Decomposition

Micro-electromechanical systems (MEMS) techniques offer great potential in satisfying the mission requirements for the next generation of "micro-scale" satellites being designed by NASA and Department of Defense agencies. More commonly referred to as "nanosats", these miniature satellites feature masses in the range of 10-100 kg and therefore have unique propulsion requirements. The propulsion systems must be capable of providing extremely low levels of thrust and impulse while also satisfying stringent demands on size, mass, power consumption and cost. We begin with an overview of micropropulsion requirements and some current MEMS-based strategies being developed to meet these needs. The remainder of the article focuses the progress being made at NASA Goddard Space Flight Center towards the development of a prototype monopropellant MEMS thruster which uses the catalyzed chemical decomposition of high concentration hydrogen peroxide as a propulsion mechanism. The products of decomposition are delivered to a micro-scale converging/diverging supersonic nozzle which produces the thrust vector; the targeted thrust level approximately 500 N with a specific impulse of 140-180 seconds. Macro-scale hydrogen peroxide thrusters have been used for satellite propulsion for decades; however, the implementation of traditional thruster designs on a MEMS scale has uncovered new challenges in fabrication, materials compatibility, and combustion and hydrodynamic modeling. A summary of the achievements of the project to date is given, as is a discussion of remaining challenges and future prospects.

Hitt, Darren L.↗
DOE OSTI2017

Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I. n-Decane (n-C 10 H 22 )

Exploiting a high temperature chemical reactor, we explored in this paper the pyrolysis of helium-seeded n-decane as a surrogate of the n-alkane fraction of Jet Propellant-8 (JP-8) over a temperature range of 1100–1600 K at a pressure of 600 Torr. The nascent products were identified in situ in a supersonic molecular beam via single photon vacuum ultraviolet (VUV) photoionization coupled with a mass spectroscopic analysis of the ions in a reflectron time-of-flight mass spectrometer (ReTOF). Our studies probe, for the first time, the initial reaction products formed in the decomposition of n-decane—including radicals and thermally labile closed-shell species effectively excluding mass growth processes. The present study identified 18 products: molecular hydrogen (H 2 ), C2 to C7 1-alkenes [ethylene (C 2 H 4 ) to 1-heptene (C 7 H 14 )], C1–C3 radicals [methyl (CH 3 ), vinyl (C 2 H 3 ), ethyl (C 2 H 5 ), propargyl (C 3 H 3 ), allyl (C 3 H 5 )], small C1–C3 hydrocarbons [methane (CH 4 ), acetylene (C 2 H 2 ), allene (C 3 H 4 ), methylacetylene (C 3 H 4 )], along with higher-order reaction products [1,3-butadiene (C 4 H 6 ), 2-butene (C 4 H 8 )]. On the basis of electronic structure calculations, n-decane decomposes initially by C–C bond cleavage (excluding the terminal C–C bonds) producing a mixture of alkyl radicals from ethyl to octyl. These alkyl radicals are unstable under the experimental conditions and rapidly dissociate by C–C bond β-scission to split ethylene (C 2 H 4 ) plus a 1-alkyl radical with the number of carbon atoms reduced by two and 1,4-, 1,5-, 1,6-, or 1,7-H shifts followed by C–C β-scission producing alkenes from propene to 1-octene in combination with smaller 1-alkyl radicals. The higher alkenes become increasingly unstable with rising temperature. When the C–C β-scission continues all the way to the propyl radical (C 3 H 7 ), it dissociates producing methyl (CH 3 ) plus ethylene (C 2 H 4 ). Also, at higher temperatures, hydrogen atoms can abstract hydrogen from C 10 H 22 to yield n-decyl radicals, while methyl (CH 3 ) can also abstract hydrogen or recombine with hydrogen to form methane. Finally, these n-decyl radicals can decompose via C–C-bond β-scission to C3 to C9 alkenes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Benchmarking ADMM in Nonconvex NLPs

Here, we study connections between the alternating direction method of multipliers (ADMM), the classical method of multipliers (MM), and progressive hedging (PH). The connections are used to derive benchmark metrics and strategies to monitor and accelerate convergence and to help explain why ADMM and PH are capable of solving complex nonconvex NLPs. Specifically, we observe that ADMM is an inexact version of MM and approaches its performance when multiple coordination steps are performed. In addition, we use the observation that PH is a specialization of ADMM and borrow Lyapunov function and primal-dual feasibility metrics used in ADMM to explain why PH is capable of solving nonconvex NLPs. This analysis also highlights that specialized PH schemes can be derived to tackle a wider range of stochastic programs and even other problem classes. Our exposition is tutorial in nature and seeks to to motivate algorithmic improvements and new decomposition strategies.

42 ENGINEERING↗
DOE OSTI2019

Calcination pretreatment effects on acid leaching characteristics of rare earth elements from middlings and coarse refuse material associated with a bituminous coal source

The pretreatment of middlings and coarse refuse material collected from a Pocahontas No.3 coal source using calcination was investigated for the potential of improving the leaching recovery of rare earth elements. Calcination at 600 °C significantly and preferentially improved light REE (LREE) recovery to values in the range of 80-90% using 1.2 M HCl. The positive effect was due to the increased pore diameter and volume as well as thermal decomposition of the minerals associated with the LREEs. Heavy REE recovery was not increased after calcination at 600 °C due to the need for higher temperatures for the thermal decomposition of HREE minerals. Furthermore, some HREEs were also associated with sulfide minerals (e.g., pyrite) which were transformed into low-solubility oxides (e.g., hematite) after roasting at 600 °C. Based on the leaching characteristics of the major elements (Fe, Al, Ca and Mg) and REEs along with SEM EDX data, it was concluded that REEs in the two samples mainly occurred as phosphate minerals. In the middlings, some of the minerals were completely encapsulated by kaolinite, which was less apparent in the coarse refuse. In addition, it was found that a portion of the REEs (10-25%) in the samples were associated with micro-dispersed material in the organic matrix and was released after calcination and easily recovered using 0.1M (NH 4 ) 2 SO 4 solution at pH 5. In conclusion, Scandium primarily occurred in mineral forms with minimum amounts associated with ion-adsorbed clays and organic association.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

The u 3 si 2 -H system

U 3 Si 2 is of interest to the nuclear industry as a candidate fuel material due to its high uranium density and high thermal conductivity. However, it has been observed to react with hydrogen, resulting in material decrepitation. As a result, it is important to understand the thermodynamics of the U 3 Si 2 -H system. In this study, the thermodynamics of the hydrogen absorption reaction of USi were determined experimentally using Sievert’s gas absorption and related to crystallographic evolution with hydrogen content using X-ray diffraction. Experimentally-determined thermodynamic parameters were compared with results from density functional theory modeling. Results from this study were also compared with those determined in previous work. Sievert’s gas absorption results were used to develop the pressure-composition-temperature (PCT) curves of the U 3 Si 2 -H system. It was found that the hydride phase exhibited a maximum stoichiometry between U 3 Si 2 H 1.8 and U 3 Si 2 H 2 . The two-phase region for hydride formation from U 3 Si 2 exhibited a miscibility gap with a critical temperature between 623 and 673 K, as calculated from the PCT curves. Analysis of the PCT curves also showed that both the enthalpy and entropy of the hydrogen absorption reaction increased with hydrogen content but were lower than the values for uranium trihydride formation from uranium metal. The enthalpy of reaction for hydrogen absorption was calculated to range between -86.9 and -94.8 kJ mol -1 , while the entropy of reaction was calculated to range between 101.9 and 138.8 J mol -1 K -1 . Furthermore, DFT modeling of the thermoydnamic stability of the USi hydride phases yielded a decomposition temperature of U 3 Si 2 H 2 of approximately 600 K, which was consistent with the experimental results. Similarly, the DFT-calculated enthalpy and entropy of reaction to form USiH were determined to be -106.5kJ mol and 121.8J mol -1 K -1 , respectively, which were both in close agreement with the experimentally-determined values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Polarizable Water Potential Derived from a Model Electron Density

A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like atom. This framework is used to derive and parametrize individual terms describing charge penetration damped permanent electrostatics, damped polarization, charge transfer, anisotropic Pauli repulsion, and damped dispersion interactions. Initial parameter values were fit to Symmetry Adapted Perturbation Theory (SAPT) energy components for ten water dimer configurations, as well as the radial and angular dependence of the canonical dimer. The SAPT-based parameters were then systematically refined to extend the treatment to water bulk phases. The final HIPPO water model provides a balanced representation of a wide variety of properties of gas phase clusters, liquid water, and ice polymorphs, across a range of temperatures and pressures. This water potential yields a rationalization of water structure, dynamics, and thermodynamics explicitly correlated with an ab initio energy decomposition, while providing a level of accuracy comparable or superior to previous polarizable atomic multipole force fields. The HIPPO water model serves as a cornerstone around which similarly detailed physics-based models can be developed for additional molecular species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Cascade Reaction of Ethanol to Butadiene over Multifunctional Silica-Supported Ag and ZrO 2 Catalysts

Although butadiene is currently a by-product of naphtha cracking, interest in producing butadiene from bio-based ethanol has increased because of the lower environmental impact of the ethanol to butadiene reaction. Furthermore, this work explores a multifunctional catalyst system composed of silica-supported Ag and ZrO 2 used for the cascade reaction of ethanol to butadiene at 573 K. The Ag and ZrO 2 components were synthesized on separate support particles enabling characterization of each component without interference from the other. High selectivity to butadiene (65%) at high ethanol conversion (75%) was achieved with an appropriate ratio of Ag and ZrO 2 in the reactor. Silver catalyzed the initial dehydrogenation of ethanol to acetaldehyde while ZrO 2 catalyzed the C-C coupling and subsequent dehydration reactions. The silica-supported ZrO 2 exhibited superior selectivity relative to bulk ZrO 2 in the Ag-promoted ethanol to butadiene reaction. Results from Zr K-edge X-ray absorption spectroscopy and UV-Vis spectroscopy showed that ZrO 2 was highly dispersed on the silica support over a range of loadings. Infrared spectroscopy of adsorbed pyridine, CO, and CO 2 , and kinetics of probe reactions 1-butene double bond isomerization, 2-propanol decomposition, and ethanol hydrogenation of acetone were used to compare the acid-base nature and chemical reactivity of silica-supported ZrO 2 to bulk ZrO 2 .

09 BIOMASS FUELS↗
DOE OSTI2025

Computational Performance Bounds Prediction in Quantum Computing With Unstable Noise

Quantum computing has significantly advanced in recent years, boasting devices with hundreds of quantum bits (qubits), hinting at its potential quantum advantage over classical computing. Yet, noise in quantum devices poses significant barriers to realizing this supremacy. Understanding noise’s impact is crucial for reproducibility and application reuse; moreover, the next-generation quantum-centric supercomputing essentially requires efficient and accurate noise characterization to support system management (e.g., job scheduling), where ensuring correct functional performance (i.e., fidelity) of jobs on available quantum devices can even be higher-priority than traditional objectives. However, noise fluctuates over time, even on the same quantum device, which makes predicting the computational bounds for on-the-fly noise is vital. Noisy quantum simulation can offer insights but faces efficiency and scalability issues. Here, in this work, we propose a data-driven workflow, namely QuBound, to predict computational performance bounds. It decomposes historical performance traces to isolate noise sources and devises a novel encoder to embed circuit and noise information processed by a Long Short-Term Memory (LSTM) network. For evaluation, we compare QuBound with a state-of-the-art learning-based predictor, which only generates a single performance value instead of a bound. Experimental results show that the result of the existing approach falls outside of performance bounds, while all predictions from our QuBound with the assistance of performance decomposition better fit the bounds. Moreover, QuBound can efficiently produce practical bounds for various circuits with over 106 speedup over simulation; in addition, the range from QuBound is over 10× narrower than the state-of-the-art analytical approach.

Li, Jinyang [George Mason Univ., Fairfax, VA (Unit↗
DOE OSTI2019

Emission Properties of Heavily Doped Epitaxial Indium-Nitride Layers

The results of studies of the spontaneous photoluminescence and stimulated emission spectra of epitaxial n-InN layers with a concentration of free electrons of ~10{sup 19} cm{sup –3} are reported. The layers are grown by molecular-beam epitaxy with the plasma activation of nitrogen on sapphire substrates with AlN and GaN buffer layers. It is found that, as the InN layers are grown under conditions with enrichment with nitrogen at a growth temperature elevated to 470°C close to the beginning of the decomposition of InN, the crystal quality of the layers is improved and the stimulated-emission threshold is lowered. As the conditions of growth change to conditions with enrichment with the metal, two emission bands separated by an energy of 100 meV are observed in the spontaneous-photoluminescence spectra of InN. For such layers, a substantial increase in the stimulated-emission threshold and, in some cases, the lack of a transition to stimulated emission are observed. In the study, an interpretation of the observed emission bands is given and some inferences as to their nature are made.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Radiocarbon measurements of ecosystem respiration and soil pore-space CO 2 in Utqiagvik (Barrow), Alaska

Radiocarbon measurements of ecosystem respiration and soil pore space CO 2 are useful for determining the sources of ecosystem respiration,identifying environmental controls on soil carbon cycling rates, and parameterizing and evaluating models of the carbon cycle. We measured flux rates and radiocarbon content of ecosystem respiration, as well as radiocarbon in soil profile CO 2 in Utqiagvik (Barrow), Alaska, during the summers of 2012, 2013, and 2014.We found that radiocarbon in ecosystem respiration(Δ 14 C Reco ) ranged from +60.5 to –160‰ with a median value of +23.3‰. Ecosystem respiration became more depleted in radiocarbon from summer to autumn, indicating increased decomposition of old soil organic carbon and/or decreased CO 2 production from fast-cycling carbon pools. Across permafrost features,ecosystem respiration from high-centered polygons was depleted in radiocarbon relative to other polygon types. Radiocarbon content in soil pore-space CO 2 varied between –7.1 and –280‰, becoming more negative with depth in individual soil profiles. These pore-space radiocarbon values correspond to CO 2 mean ages of 410 to 3350 years, based on a steady-state, one-pool model. Together, these data indicate that deep soil respiration was derived primarily from old, slow-cycling carbon, but that total CO 2 fluxes depended largely on autotrophic respiration and heterotrophic decomposition of fast-cycling carbon within the shallowest soil layers. The relative contributions of these different CO 2 sources were highly variable across microtopographic features and time in the sampling season. The highly negative Δ 14 C values in soil pore-space CO 2 and autumn ecosystem respiration indicate that when it is not frozen, very old soil carbon is vulnerable to decomposition.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1990

Comparison of high-angle-of-attack slender-body theory and exact solutions for potential flow over an ellipsoid

The accuracy of high-alpha slender-body theory (HASBT) for bodies with elliptical cross-sections is presently demonstrated by means of a comparison with exact solutions for incompressible potential flow over a wide range of ellipsoid geometries and angles of attack and sideslip. The addition of the appropriate trigonometric coefficients to the classical slender-body theory decomposition yields the formally correct HASBT, and results in accuracies previously considered unattainable.

Hemsch, Michael J.↗
NASA NTRS2014

Bulge Growth and Quenching Since Z=2.5 in Candels/3D-HST

Exploiting the deep high-resolution imaging of all 5 CANDELS fields, and accurate redshift informationprovided by 3D-HST, we investigate the relation between structure and stellar populations fora mass-selected sample of 6764 galaxies above 1010 M, spanning the redshift range 0.5 z 2.5.For the first time, we fit 2-dimensional models comprising a single Sersic fit and two-component (i.e.,bulge + disk) decompositions not only to the H-band light distributions, but also to the stellar massmaps reconstructed from resolved stellar population modeling. We confirm that the increased bulgeprominence among quiescent galaxies, as reported previously based on rest-optical observations, remainsin place when considering the distributions of stellar mass. Moreover, we observe an increaseof the typical Sersic index and bulge-to-total ratio (with median BT reaching 40-50) among starforminggalaxies above 1011 M. Given that quenching for these most massive systems is likely tobe imminent, our findings suggest that significant bulge growth precedes a departure from the starformingmain sequence. We demonstrate that the bulge mass (and ideally knowledge of the bulge andtotal mass) is a more reliable predictor of the star-forming versus quiescent state of a galaxy thanthe total stellar mass. The same trends are predicted by the state-of-the-art semi-analytic model bySomerville et al. In the latter, bulges and black holes grow hand in hand through merging andordisk instabilities, and AGN-feedback shuts off star formation. Further observations will be requiredto pin down star formation quenching mechanisms, but our results imply they must be internal to thegalaxies and closely associated with bulge growth.

Quenching↗
DOE OSTI2017

A physics-motivated Centroidal Voronoi Particle domain decomposition method

In this paper, we propose a novel domain decomposition method for large-scale simulations in continuum mechanics by merging the concepts of Centroidal Voronoi Tessellation (CVT) and Voronoi Particle dynamics (VP). The CVT is introduced to achieve a high-level compactness of the partitioning subdomains by the Lloyd algorithm which monotonically decreases the CVT energy. The number of computational elements between neighboring partitioning subdomains, which scales the communication effort for parallel simulations, is optimized implicitly as the generated partitioning subdomains are convex and simply connected with small aspect-ratios. Moreover, Voronoi Particle dynamics employing physical analogy with a tailored equation of state is developed, which relaxes the particle system towards the target partition with good load balance. Since the equilibrium is computed by an iterative approach, the partitioning subdomains exhibit locality and the incremental property. Numerical experiments reveal that the proposed Centroidal Voronoi Particle (CVP) based algorithm produces high-quality partitioning with high efficiency, independently of computational-element types. Thus it can be used for a wide range of applications in computational science and engineering.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Harmonic decomposition of three-particle azimuthal correlations at energies available at the BNL Relativistic Heavy Ion Collider

Here, we present measurements of three-particle correlations for various harmonics in Au+Au collisions at energies ranging from √ s NN=7.7 to 200 GeV using the STAR detector. The quantity < cos(mΦ 1 +nΦ 2 –(m+n)Φ 3 ) >, with Φ being the azimuthal angles of the particles is evaluated as a function of √ s NN, collision centrality, transverse momentum, p T , pseudorapidity difference, Δη, and harmonics (m and n). These data provide detailed information on global event properties such as the three-dimensional structure of the initial overlap region, the expansion dynamics of the matter produced in the collisions, and the transport properties of the medium. A strong dependence on Δη is observed for most harmonic combinations, which is consistent with breaking of longitudinal boost invariance. An interesting energy dependence is observed when one of the harmonics m,n, or m+n is equal to two, for which the correlators are dominated by the two-particle correlations relative to the second-harmonic event plane. These measurements can be used to constrain models of heavy-ion collisions over a wide range of temperature and baryon chemical potential.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Heteroepitaxial Growth of Well-Dispersed Co 3 O 4 Nanocatalysts on Porous ZnO Nanoplates via Successive Hydrothermal Deposition

We report a unique successive hydrothermal deposition method for the heteroepitaxial growth of well-dispersed crystalline Co 3 O 4 nanoparticles on single-crystalline porous ZnO nanoplates toward a Co 3 O 4 /ZnO nanocomposite catalyst. The specific heteroepitaxial crystal faces between Co 3 O 4 and ZnO limit the size of Co 3 O 4 particles to be approximately 5 nm and allow the exposure of more active sites. The intermediate of hydrozincite [Zn 5 (CO 3 ) 2 (OH) 6 ] plays a role as template in creating porous ZnO nanoplates and oriented Co 3 O 4 grains via thermal decomposition process. The active exposure of the catalyst is probed by CO oxidation. The nanocomposite exhibits significantly enhanced catalytic efficiency towards CO oxidation at temperatures ranging from 30 to 115 °C, in comparison with a homogeneous Co 3 O 4 sample and one-step Co/ZnO products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Diaphragmless single-pulse shock tube for high-temperature chemical kinetics studies

Single-pulse shock tubes are effective tools for measuring chemical kinetics at high temperatures, typically (900–1400) K. However, the use of a diaphragm for shock generation leads to significant shock-to-shock inconsistencies in temperature for a constant initial pressure ratio across the discontinuity. Diaphragms also require replacement after each shock and demand care in cleaning to ensure that the fragments do not contaminate the apparatus. A piston-driven valve design is presented that leads to a highly reproducible postreflected shock temperatures (0.41% at 1147 K and 0.61% at 967 K) in a single pulse varying from (500 to 1200) µs in width over the temperature range of interest. Characterization of the valve was accomplished using both shock-speed measurements and independent measurements of the pulse temperature using reference thermal decomposition reactions.

47 OTHER INSTRUMENTATION↗