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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reducing communication in algebraic multigrid with multi-step node aware communication

Algebraic multigrid (AMG) is often viewed as a scalable [Formula: see text] solver for sparse linear systems. Yet, AMG lacks parallel scalability due to increasingly large costs associated with communication, both in the initial construction of a multigrid hierarchy and in the iterative solve phase. This work introduces a parallel implementation of AMG that reduces the cost of communication, yielding improved parallel scalability. It is common in Message Passing Interface (MPI), particularly in the MPI-everywhere approach, to arrange inter-process communication, so that communication is transported regardless of the location of the send and receive processes. Performance tests show notable differences in the cost of intra- and internode communication, motivating a restructuring of communication. In this case, the communication schedule takes advantage of the less costly intra-node communication, reducing both the number and the size of internode messages. Node-centric communication extends to the range of components in both the setup and solve phase of AMG, yielding an increase in the weak and strong scaling of the entire method.

Computer Science↗
DOE OSTI2021

Cycle-to-cycle variability in spark-assisted compression ignition engines near optimal mean combustion phasing

Stoichiometric spark-assisted compression ignition (SACI) combustion with exhaust gas recirculation (EGR) dilution has demonstrated higher part-load thermal efficiencies compared to spark-ignited engines, while maintaining ultra-low tailpipe emissions. However, SACI is often characterized by high cyclic variability in heat release or torque output, which poses a challenge to its implementation in light-duty vehicles. This paper presents an experimental investigation of cyclic variability in stoichiometric SACI combustion under EGR-dilute conditions, while maintaining mean combustion phasing (θ 50 ) near optimal timing for thermal efficiency. The present work focuses on SACI conditions where the flame-based heat release fraction is between approximately 10% and 40% of the overall heat release, and therefore contributes significantly to the combustion process. For the SACI conditions examined, the variability in θ 50 was driven by variability in autoignition timing, which in turn correlated with the start of measurable heat release (θ 02 ). High variability in θ 50 caused unstable work output due to very late combustion with poor or no end-gas autoignition. The use of a high ignition energy dual-coil offset ignition system had negligible impact in reducing θ 50 variability. Analysis of experimental data from close to 1000 operating conditions showed that the magnitude of θ 50 variability correlates with the flame-based heat release fraction ([Formula: see text]), for a large range of intake pressures, spark timings and exhaust gas recirculation levels. For the SACI conditions examined, combustion phasing variability was largely determined by flame-based combustion and particularly the initial flame formation (θ IGN-02 ), and minimally by the end-gas autoignition heat release. The analysis also demonstrated that θ 50 variability is amplified as the contribution of the flame to the overall heat release increases.

Engineering↗
DOE OSTI2021

Investigating realistic anode off-gas combustion in SOFC/ICE hybrid systems: mini review and experimental evaluation

Solid oxide fuel cells (SOFCs) have been deployed in hybrid decentralized energy systems, in which they are directly coupled to internal combustion engines (ICEs). Prior research indicated that the anode tailgas exiting the SOFC stack should be additionally exploited due to its high energy value, with typical ICE operation favoring hybridization due to matching thermodynamic conditions during operation. Consequently, extensive research has been performed, in which engines are positioned downstream the SOFC subsystem, operating in several modes of combustion, with the most prevalent being homogeneous compression ignition (HCCI) and spark ignition (SI). Experiments were performed in a 3-cylinder ICE operating in the latter modus operandi, where the anode tailgas was assimilated by mixing syngas (H 2 : 33.9%, CO: 15.6%, CO 2 : 50.5%) with three different water vapor flowrates in the engine’s intake. While increased vapor content significantly undermined engine performance, brake thermal efficiency (BTE) surpassed 34% in the best case scenario, which outperformed the majority of engines operating under similar operating conditions, as determined from the conducted literature review. Nevertheless, the best performing application was identified operating under HCCI, in which diesel reformates assimilating SOFC anode tailgas, fueled a heavy duty ICE (17:1), and gross indicated thermal efficiency ([Formula: see text]) of 48.8% was achieved, with the same engine exhibiting identical performance when operating in reactivity-controlled compression ignition (RCCI). Overall, emissions in terms of NO x and CO were minimal, especially in SI engines, while unburned hydrocarbons (UHC) were non-existent due to the absence of hydrocarbons in the assessed reformates.

Engineering↗
DOE OSTI2020

Jeankempite, Ca 5 (AsO 4 ) 2 (AsO 3 OH) 2 (H 2 O) 7 , a new arsenate mineral from the Mohawk Mine, Keweenaw County, Michigan, USA

Abstract Jeankempite, Ca 5 (AsO 4 ) 2 (AsO 3 OH) 2 (H 2 O) 7 , is a new mineral species (IMA2018-090) discovered amongst coatings of arsenate minerals on oxidised copper arsenides from the Mohawk No. 2 mine, Mohawk, Keweenaw County, Michigan, USA. The new mineral occurs as lamellar bundles of colourless to white plates up to 1 mm wide and is visually indistinguishable from guérinite, with which it forms intergrowths. Jeankempite is transparent to translucent with a waxy lustre and white streak, is non-fluorescent under longwave and shortwave ultraviolet illumination, has a Mohs hardness of ~1.5 and brittle tenacity with uneven fracture. Crystals are flattened on {01 $\bar{1}$ } and exhibit perfect cleavage on {01 $\bar{1}$ }. Optically, jeankempite is biaxial (+), α = 1.601(2), β = 1.607(2), γ = 1.619(2) (white light); 2V meas. = 72(2)° and 2V calc. = 71.0°. The empirical formula is (Ca 4.97 Na 0.013 Mg 0.017 )(As 3.99 S 0.01 ) 4 O 23 H 16 , based on 23 O and 16 H atoms per formula unit. Thermogravimetric analysis indicates that jeankempite undergoes four weight losses totalling 16.82%, close to the expected loss of 16.30%, corresponding to eight H 2 O. Jeankempite is triclinic, P $\bar{1}$ , a = 6.710(6), b = 14.901(14), c = 15.940(15) Å, α = 73.583(12)°, β = 81.984(12)°, γ = 82.754(12)°, V = 1507(2) Å 3 and Z = 3. The final structure was refined to R 1 = 0.0591 for 2781 reflections with I obs > 3σ I . The crystal structure of jeankempite is built from a network of edge- and vertex-sharing CaO 6 , CaO 7 and AsO 4 polyhedra, and we hypothesise that the new mineral has formed due to a topotactic reaction brought on by dehydration of preexisting guérinite.

Mineralogy↗
DOE OSTI2020

Characterization of elastic mechanical properties of Tuscaloosa Marine Shale from well logs using the vertical transversely isotropic model

To avoid steep declines in the Tuscaloosa Marine Shale (TMS) production, wells are fracture-stimulated to release the hydrocarbons trapped in the matrix of the formation. An accurate estimation of Young’s modulus and Poisson’s ratio is essential for hydraulic fracture propagation. In addition, ignoring the highly heterogeneous and anisotropic character of TMS can lead to erroneous stress values, which subsequently affect hydraulic fracture width estimates and the overall hydraulic fracturing process. We have developed an empirical 1D geomechanical model that takes into account VTI anisotropy, and it is used to characterize the elastic mechanical properties of TMS in two wells. In the analyzed formation, the vertical Poisson’s ratio is less than the horizontal Poisson’s ratio, which suggests the necessity of an alternative to the ANNIE equations. The stiffness coefficients [Formula: see text] and [Formula: see text] were estimated using the relationships developed from the ultrasonic core data available for the two TMS. Further, correlations between the static and dynamic properties from laboratory tests were used to improve the minimum horizontal stress calculation. We compare VTI Young’s moduli, Poisson’s ratios, and minimum horizontal stress with the isotropic solution. VTI modeling improves the estimation of the elastic mechanical properties. The isotropic solution underestimates the minimum horizontal stress in the formation. Moreover, it was shown that the 20 ft shale interval below the TMS base is characterized by a low Young’s modulus (the vertical Young’s modulus is equal to 20 GPa, whereas the horizontal Young’s modulus is equal to 40 GPa) and may be a frac barrier.

Geochemistry & Geophysics↗
DOE OSTI2022

Update of the Nuclear Criticality Slide Rule: Review of the Estimation of the Number of Fissions

IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule (https://ncsp.llnl.gov/analytical-methods/criticality-sliderule) for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents the review of the section “estimation of the number of fissions”, named “fission yield” in the Slide Rule document. This estimation is important because the other information provided by the Slide Rule is directly proportional to the number of fissions. The previous models, based on Hansen and Barbry formulae, will be presented with their associated assumptions and limitations. Then, new proposals will be presented with a comparison to past criticality accidents and experimental data. The new formulae, based on the heat energy equation, cover many types of criticality accidents (solution, dry or low-moderated powder, rods/assemblies in water and dry metal) and require limited information in an emergency situation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Thermal Effects on Far-Field Distributed Acoustic Strain-Rate Sensors

Summary Fiber-optic cables cemented outside of the casing of an unconventional well measure crosswell strain changes during fracturing of neighboring wells with low-frequency distributed acoustic sensing (LF-DAS). As a hydraulic fracture intersects an observation well instrumented with fiber-optic cables, the fracture fluid injected at ambient temperatures can cool a section of the sensing fiber. Often, LF-DAS and distributed temperature sensing (DTS) cables are run in tandem, enabling the detection of such cooling events. The increasing use of LF-DAS for characterizing unconventional hydraulic fracture completions demands an investigation of the effects of temperature on the measured strain response by LF-DAS. Researchers have demonstrated that LF-DAS can be used to extract the temporal derivative of temperature for use as a differential-temperature-gradient sensor. However, differential-temperature-gradient sensing is predicated on the ability to filter strain components out of the optical signal. In this work, beginning with an equation for optical phase shift of LF-DAS signals, a model relating strain, temperature, and optical phase shift is explicitly developed. The formula provides insights into the relative strength of strain and temperature effects on the phase shift. The uncertainty in the strain-rate measurements due to thermal effects is estimated. The relationship can also be used to quantify uncertainties in differential-temperature-gradient sensors due to strain perturbations. Additionally, a workflow is presented to simulate the LF-DAS response accounting for both strain and temperature effects. Hydraulic fracture geometries are generated with a 3D fracture simulator for a multistage unconventional completion. The fracture width distributions are imported by a displacement discontinuity method (DDM) program to compute the strain rates along an observation well. An analytic model is used to approximate the temperature in the fracture. Using the derived formulae for optical phase shift, the model outputs are then used to compute the LF-DAS response at a fiber-optic cable, enabling the generation of waterfall plots including both strain and thermal effects. The model results suggest that before, during, and immediately following a fracture intersecting a well instrumented with fiber, the strain on the fiber drives the LF-DAS signal. However, at later times, as completion fluid cools the observation well, the temperature component of the LF-DAS signal can be equal to or exceed the strain component. The modeled results are compared to a published field case in an attempt to enhance the interpretation of LF-DAS waterfall plots. Finally, we propose a sensing configuration to identify the events when “wet fractures” (fractures with fluids) intersect the observation well.

Engineering↗
DOE OSTI2020

Experimental determination of the solubility constant of kurnakovite, MgB3O3(OH)5·5H2O

In this study, I present experimental results on the equilibrium between boracite [Mg 3 B 7 O 13 C1(cr)] and kurnakovite [chemical formula, Mg 2 B 6 O 11 ·15H 2 O(cr); structural formula, MgB 3 O 3 (OH) 5 ·5H 2 O(cr)] at 22.5 ± 0.5 °C from a long-term experiment up to 1629 days, approaching equilibrium from the direction of supersaturation, Mg 3 B 7 O 13 C1(cr) + H + + 2B(OH)$^-_4$ + 18H 2 O(1) ⇌ 3MgB 3 O 3 (OH) 5 ·5H 2 O(cr) + C1 - . Based on solubility measurements, the 10-based logarithm of the equilibrium constant for the above reaction at 25 °C is determined to be 12.83 ± 0.08 (2σ). Based on the equilibrium constant for dissolution of boracite, Mg 3 B 7 O 13 C1(cr) + 15H 2 O(1) = 3Mg 2+ + 7B(OH)$^-_4$ + C1 - + 2H + at 25 °C measured previously (Xiong et al. 2018) and that for the reaction between boracite and kurnakovite determined here, the equilibrium constant for dissolution of kurnakovite, MgB 3 O 3 (OH) 5 ·5H 2 O(cr) = Mg 2+ + 3B(OH)$^-_4$ + H + + H 2 O(1) is derived as -14.11 ± 0.40 (2σ). Using the equilibrium constant for dissolution of kurnakovite obtained in this study and the experimental enthalpy of formation for kurnakovite from the literature, a set of thermodynamic properties for kurnakovite at 25 °C and 1 bar is recommended as follows: Δ H $^0_f$ = -4813.24 ± 4.92 kJ/mol, Δ G$^0_f$ = -4232.0 ± 2.3 kJ/mol, and S 0 = 414.3 ± 0.9 J/(mol·K). Among them, the Gibbs energy of formation is based on the equilibrium constant for kurnakovite determined in this study; the enthalpy of formation is from the literature (Li et al. 1997), and the standard entropy is calculated internally with the Gibbs-Helmholtz equation in this work. The thermodynamic properties of kurnakovite estimated using the group contribution method for borate minerals based on the sums of contributions from the cations, borate polyanions, and structural water to the thermodynamic properties from the literature (Li et al. 2000) are consistent, within their uncertainties, with the values listed above. Since kurnakovite usually forms in salt lakes rich in sulfate, studying the interactions of borate with sulfate is important to modeling kurnakovite in salt lakes. Finally, for this purpose, I have re-calibrated our previous model (Xiong et al. 2013) describing the interactions of borate with sulfate based on the new solubility data for borax in Na 2 SO 4 solutions presented here.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Finchite, Sr(UO 2 ) 2 (V 2 O 8 )·5H 2 O, a new uranyl sorovanadate with the francevillite anion topology

Finchite (IMA2017-052), Sr(UO 2 ) 2 (V 2 O 8 )·5H 2 O, is the first uranium mineral known to contain essential Sr. The new mineral occurs as yellow-green blades up to ~10 µm in length in surface outcrops of the calcrete-type uranium deposit at Sulfur Springs Draw, Martin County, Texas, U.S.A. Crystals of finchite were subsequently discovered underground in the Pandora mine, La Sal, San Juan County, Utah, U.S.A., as diamond-shaped golden-yellow crystals reaching up to 1 mm. In this work, the crystal structure of finchite from both localities was determined using single-crystal X-ray diffraction and is orthorhombic, Pcan, with a = 10.363(6) Å, b = 8.498(5) Å, c = 16.250(9) Å, V = 1431.0(13) Å 3 , Z = 4 (R 1 = 0.0555) from Sulfur Springs Draw; and a = 10.3898(16), b = 8.5326(14), c = 16.3765(3) Å, V = 1451.8(4) Å 3 , Z = 4 (R 1 = 0.0600) from the Pandora mine. Electron-probe microanalysis provided the empirical formula (Sr 0.88 K 0.17 Ca 0.10 Mg 0.07 Al 0.03 Fe 0.02 ) Σ1.20 (UO 2 ) 2 (V 2.08 O 8 )·5H 2 O for crystals from Sulfur Springs Draw, and (Sr 0.50 Ca 0.28 Ba 0.22 K 0.05 ) Σ0.94 (U 0.99 O 2 ) 2 (V 2.01 O 8 )·5H 2 O for crystals from the Pandora mine, based on 17 O atoms per formula unit. The structure of finchite contains uranyl vanadate sheets based upon the francevillite topology. Finchite is a possible immobilization species for both uranium and the dangerous radionuclide 90 Sr because of the relative insolubility of uranyl vanadate minerals in water.

58 GEOSCIENCES↗
DOE OSTI2021

EFT asymptotics: the growth of operator degeneracy

We establish formulae for the asymptotic growth (with respect to the scaling dimension) of the number of operators in effective field theory, or equivalently the number of S-matrix elements, in arbitrary spacetime dimensions and with generic field content. This we achieve by generalising a theorem due to Meinardus and applying it to Hilbert series---partition functions for the degeneracy of (subsets of) operators. Although our formulae are asymptotic, numerical experiments reveal remarkable agreement with exact results at very low orders in the EFT expansion, including for complicated phenomenological theories such as the standard model EFT. Our methods also reveal phase transition-like behaviour in Hilbert series. We discuss prospects for tightening the bounds and providing rigorous errors to the growth of operator degeneracy, and of extending the analytic study and utility of Hilbert series to EFT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Joule heating in bad and slow metals

Heat supplied to a metal is absorbed by the electrons and then transferred to the lattice. In conventional metals energy is released to the lattice by phonons emitted from the Lindhard continuum. However in a 'bad' metal, with short mean free path, the low energy Lindhard continuum is destroyed. To describe energy transfer to the lattice in these cases we obtain a general Kubo formula for the energy relaxation rate in terms of the electronic density spectral weight \text{lm} \, G^R_{nn}(\omega_{k},k) lm G n n R ( ω k , k ) evaluated on the phonon dispersion \omega_k ω k . We apply our Kubo formula to the high temperature Hubbard model, using recent data from quantum Monte Carlo and experiments in ultracold atoms to characterize \text{lm} \, G^R_{nn}(\omega_{k},k) lm G n n R ( ω k , k ) . We furthermore use recent data from electron energy-loss spectroscopy to estimate the energy relaxation rate of the cuprate strange metal to a high energy optical phonon. As a second, distinct, application of our formalism we consider 'slow' metals. These are defined to have Fermi velocity less than the sound velocity, so that particle-hole pairs are kinematically unable to emit phonons. We obtain an expression for the energy relaxation rate of a slow metal in terms of the optical conductivity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Asymptotics of transverse momentum broadening in dense QCD media

We study the asymptotic behaviour of the transverse momentum broadening distribution of an energetic quark or gluon propagating through dense QCD matter, in the large system size L L limit, taking into account radiative corrections in the double logarithmic approximation. Thanks to a connection between the evolution of the jet quenching parameter \hat{q} q ̂ and the formation of traveling wave fronts in nonlinear physics, we obtain a formula for the L L dependence of the characteristic transverse momentum scale Q_s Q s of the distribution valid up to terms of order 1/\ln(L) 1 / ln ( L ) . We briefly discuss the physical implications of this formula for jet quenching and small- x x phenomenology.

Caucal, Paul↗
DOE OSTI2020

Beirut Explosion Yield and Mushroom Cloud Height - Effects of the Source Environment

I use crater dimensions to estimate the yield of the August 4th, 2020 Beirut explosion to be equivalent to approximately 1.4 kilotons of TNT with a lower bound of about 0.7 kilotons. Based on the amount of ammonium nitrate reported to have been stored at the Beirut harbor, I assume an upper bound for the yield of 2.75 kilotons. However, it is highly likely that the yield was less than 2.75 kilotons, since reported values for TNT equivalence of ammonium nitrate are typically much less than one hundred percent. The crater-size based yield estimates are based on crater radius estimates from satellite imagery and empirical curves and data for scaled crater radius from past chemical and nuclear explosions. I present evidence that suggests that the relatively large crater radius is due to a high degree of coupling of shock wave energy to the surrounding medium and a reduction of the effective stress because of a high level of saturation of the geologic media beneath the explosion. I provide yield estimates based on seismic body-wave magnitude and crater depth as corroborating evidence. I compare preliminary estimates for the maximum debris cloud height, based on cell phone videos/images, with predicted maximum heights for this yield range from empirical formulas and numerical cloud-rise models. Based on a preliminary analysis of cell phone footage, the observed maximum cloud height appears to be approximately 1600 m. This is much lower than that predicted using standard empirical formulas and buoyant cloud rise models. I present results from a modified buoyant cloud rise model that more accurately predicts the maximum cloud height by allowing for the inclusion of a fixed amount of air and/or water into the fireball at the start of cloud rise. The amount of mass that needs to be added at the start, to reproduce the observed maximum cloud height, is relatively small compared to the total mass entrained during cloud rise. A much greater amount of dry air or debris is required, relative to water, for an equivalent reduction in maximum cloud height. The ammonium nitrate is one possible source for water in the fireball since it was being stored in a very humid environment and ammonium nitrate is known to be hygroscopic. The ground beneath the explosion, especially if it were saturated, and the nearby harbor could also have been sources for water or debris in the fireball.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Energy gain in a two-gap RF cavity

Velocity of a deeply non-relativistic particle can change during its acceleration inside an RF cavity significantly enough to cause a deviation of the energy gain from a linear model. This paper derives formulae for corrections to the energy gain in a two-gap RF cavity calculated by taking into account this velocity change in the next approximation. Then, the results are compared with direct particle tracking of an HWR cavity used at the PIP2IT test accelerator. The formulae significantly extend the range of parameters where analytical calculations work with a good accuracy. The approach is applied to two aspects of cavity phasing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Redistribution of cooling rates for electron bunch with nonuniform density

In this paper we derive explicit formulas for the friction force and the cooling rates in non-magnetized electron coolers in the presence of redistribution of cooling decrements. In the derived formulas we take into account that the density of the electron bunch can be non-uniform.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Notes on Davis EOS: Historical Perspective, Derivations & Physical Considerations

Davis reactant and product semi-empirical EOS have been introduced in a series of publications by W. C. Davis. These EOS are convenient to use in conjunction with reactive burn models to parameterize the thermodynamic response of quiescent high explosives (HE) and the mixture of HE decomposition products. There is a history of development of these EOS with different formulae and functional forms found in different papers. The goal of the present notes is to track that history, clarify the physical motivation behind various modifications to Davis EOS over time, and collect all the relevant formulae in one place.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Theoretical Studies in Very Strongly Correlated Matter

In this Final Technical Report, a summary of research carried out by the PI and his group from 9/1/2006 to 8/31/2023, on developing new approaches to understand very strongly correlated systems is provided. Novel materials where interactions dominate the kinetic energy (due to hopping motion) of electrons, pose a major puzzle in condensed matter systems. These are located in regimes of parameters where traditional theoretical approaches fail, and new concepts and formalisms are called for. In the area of thermal or thermoelectrical transport the PI has found two new formulas for the Seebeck coefficient. These are easier to apply than the general Kubo formulas, and give interesting insights that lead to new directions in the search for better materials for energy harvesting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Transfer Tube Material Properties Obtained from Test Data

A series of tension and compression tests were performed on typical transfer tubes made of 304L corrosion-resistant steel. The results were compiled and converted to true stress and true plastic strain for comparison to numerical models. The parameters of a Johnson-Cook constitutive model and fracture criterion were calibrated to mimic the test data. Comparisons were made between the converted data and the empirical formulas in the Johnson-Cook model. Simulations were performed to evaluate the implementation of the formula in finite element analysis, and the parameters were adjusted to improve the correlation.

36 MATERIALS SCIENCE↗