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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Dynamical conditions of dense clumps in dark clouds - A strategy for elucidation

Chemical considerations and simplified dynamical modeling suggest that dark cloud cores may be incessantly evolving such that the time spent at high core densities decreases as the density increases. After reaching a high density, gravitationally contracting dark cloud cores may either form stars or expand to states of lower densities. Cloud mass and initial density are amongst the factors that may control the evolutionary fate of the core. This view is diametrically opposite of the common belief that dense cores may be in near mechanical equilibrium. Mutually consistent end-to-end modeling of the spectral line profiles and intensities is needed to discern the reality.

Prasad, Sheo S.↗
DOE OSTI2025

Effects of equilibrium pressure on plasma response to RMPs in a spherical tokamak

This study presents a comprehensive analysis of the equilibrium pressure on the plasma response to resonant magnetic perturbations (RMPs) in the spherical tokamak (ST) MAST-U, employing both single-fluid and MHD-kinetic hybrid models (implemented via the MARS-F/K codes). As a key finding, the study identifies two different pressure-driven eigenmodes, exhibiting Sturmian property, that affect the Troyon no-wall limits for the onset of the n = 1 and n = 2 ( n is the toroidal mode number) ideal external kink instabilities as well as the corresponding plasma response to the applied RMP. With increasing equilibrium pressure, the plasma response to RMPs is significantly enhanced in the ST plasma, particularly in the high-pressure regime where kinetic effects strongly stabilize the external kink instability. The Troyon no-wall limit divides the plasma response into two regions: well below the limit, the response amplitudes and trends (versus pressure) are similar between the fluid and kinetic models; as the equilibrium pressure approaches the Troyon limit, the kinetic model predicts significant amplification of the RMP field, up to 30 times for cases considered. A relatively weak dependence of the optimal coil phasing on the equilibrium pressure is computed in this ST plasma, similar to the trend obtained for the conventional aspect ratio devices. These findings underscore the importance of incorporating kinetic effects in accurate prediction of the plasma response to RMPs in high-pressure ST tokamak plasmas and provide a theoretical basis for optimizing RMP-based control of the edge-localized modes in future ST devices.

RMP↗
NASA NTRS1979

Spray combustion models - A review

Due to recent theoretical and experimental advances, modeling spray combustion can be contemplated as a means of supplementing traditional cut and try combustor development methods. This review describes spray models that are currently being developed and their validation. The review is limited to steady, turbulent two- and three-dimensional systems typified by furnaces and gas turbine combustors. Both locally homogeneous flow models, where the phases are assumed to be in kinematic and thermodynamic equilibrium at each point in the flow, and more complete two-phase flow models, which allow for finite rate processes between the phases, are considered.

Faeth, G. M.↗
NASA NTRS2021

Experimental Results and Interfacial Lift-off Model Predictions of Critical Heat Flux for Flow Boiling with Subcooled Inlet Conditions – In Preparation for Experiments Onboard the International Space Station

This study investigates critical heat flux (CHF) for subcooled flow boiling of n-Perfluorohexane based on results of pre-launch Earth-gravity Mission Sequence Tests (MSTs) of the Flow Boiling and Condensation Experiment (FBCE), which was launched to the International Space Station (ISS) in August 2021. CHF measurements were made in a rectangular channel having a 2.5 mm by 5 mm cross-section and a 114.6-mm long heated segment. Both single-sided and double-sided heating were tested in vertical upflow in Earth gravity for a variety of inlet conditions. The inlet subcooling was varied in the range of 0.4 – 32.0°C and encompassed both near-saturated and highly subcooled conditions. Experimental trends and high-speed video records were investigated to better understand the mechanism of CHF. Overall trends show CHF increases as flow rate and/or inlet subcooling are increased. Flow features from the events around CHF justify the applicability of the Interfacial Lift-off Model and the determination of limiting criteria for its application. The present experimental data are combined with prior databases for various flow orientations with respect to Earth gravity and microgravity data collected on parabolic flights. Predictions are made using the Interfacial Lift-off Model for this consolidated subcooled-inlet FBCE-CHF database. A heat utility ratio was included in the model to capture the effects of subcooling and corresponding thermodynamic non-equilibrium. An overall mean absolute error of 19.04% indicates good predictive capability of the model for both heating configurations, different gravity environments, and a wide range of inlet subcooling.

flow boiling↗
NASA NTRS1998

WARP3D-Release 10.8: Dynamic Nonlinear Analysis of Solids using a Preconditioned Conjugate Gradient Software Architecture

This report describes theoretical background material and commands necessary to use the WARP3D finite element code. WARP3D is under continuing development as a research code for the solution of very large-scale, 3-D solid models subjected to static and dynamic loads. Specific features in the code oriented toward the investigation of ductile fracture in metals include a robust finite strain formulation, a general J-integral computation facility (with inertia, face loading), an element extinction facility to model crack growth, nonlinear material models including viscoplastic effects, and the Gurson-Tver-gaard dilatant plasticity model for void growth. The nonlinear, dynamic equilibrium equations are solved using an incremental-iterative, implicit formulation with full Newton iterations to eliminate residual nodal forces. The history integration of the nonlinear equations of motion is accomplished with Newmarks Beta method. A central feature of WARP3D involves the use of a linear-preconditioned conjugate gradient (LPCG) solver implemented in an element-by-element format to replace a conventional direct linear equation solver. This software architecture dramatically reduces both the memory requirements and CPU time for very large, nonlinear solid models since formation of the assembled (dynamic) stiffness matrix is avoided. Analyses thus exhibit the numerical stability for large time (load) steps provided by the implicit formulation coupled with the low memory requirements characteristic of an explicit code. In addition to the much lower memory requirements of the LPCG solver, the CPU time required for solution of the linear equations during each Newton iteration is generally one-half or less of the CPU time required for a traditional direct solver. All other computational aspects of the code (element stiffnesses, element strains, stress updating, element internal forces) are implemented in the element-by- element, blocked architecture. This greatly improves vectorization of the code on uni-processor hardware and enables straightforward parallel-vector processing of element blocks on multi-processor hardware.

Koppenhoefer, Kyle C.↗
NASA NTRS1988

Modelling the slow climatic attractor

Attempts to model the evolution of the slow-response parts of the climatic system such as the global ice mass are reviewed, and the fundamental laws governing the complete complex multidomain slow system, called the slow climatic attractor, are analyzed. The uses of paleoclimatic records are discussed, and a low-order model for the late Quaternary variations that constitutes a credible global representation of the slow climatic attractor is presented. It is shown that although according to the model the climatic system is centered on an unstable equilibrium, the points of the limit cycle attractor are quite stable and robust. It is also noted that one major deficiency of the model is its inability to portray the geographic spatial variability of climatic mean states. However, at least with regard to atmospheric CO2, estimates of the geographic fields of all significant atmospheric and surface boundary layer climate variables are deducible.

Saltzman, Barry↗
NASA NTRS2017

3D Material Response Analysis of PICA Pyrolysis Experiments

Primarily interested in improving ablation modeling for use in inverse reconstruction of flight environments on ablative heat shields. Ablation model is essentially a component of the heat flux sensor, so model uncertainties lead to measurement uncertainties. Non-equilibrium processes have been known to be significant in low density ablators for a long time, but increased accuracy requirements of the reconstruction process necessitates incorporating this physical effect. Attempting to develop a pyrolysis model for implementation in material response based on the PICA data produced by Bessire and Minton. Pyrolysis gas species molar yields as a function of temperature and heating rate. Several problems encountered while trying to fit Arrhenius models to the data led to further investigation of the experimental setup.

Oliver, Brandon A.↗
DOE OSTI2024

Accelerating Thermochemical Equilibrium Calculations for Nuclear Reactor Applications

Thermochemical properties play a key role in modeling and simulation of several key phenomena in nuclear reactors. There has been an increasing interest in incorporating CALPHAD-based formulations in multiphysics simulations including for Molten Salt Reactors where knowledge of phase evolution of the salt and the chemical potentials of various elements are of utmost importance in source term analyses and redox control. However, the size of such simulations is often limited by the high computational cost of full thermodynamic equilibrium calculations. This work discusses the current efforts aimed at accelerating thermochemical equilibrium calculations for multiphysics simulations performed using the open-source finite element / finite volume code Multiphysics Object Oriented Simulation Environment (MOOSE) [1]. While several methods have been proposed for accelerating phase equilibrium calculations [2], most focus on relatively small systems and often rely on a- priori knowledge of the state-space of the system. Nuclear materials, however, are often multi-component systems owing to the evolution of composition under irradiation and an approach based on a-priori mapping of phase diagram is often not enough. This work is aimed at demonstrating an on-the-fly surrogate modeling framework that uses active learning to reduce the number of full equilibrium calculations that must be performed. By combining with efficient coupling approaches, the surrogate framework helps in reducing the computational cost of thermodynamic equilibrium informed multiphysics simulations of nuclear materials. The performance is benchmarked against full coupling with the thermochemistry library Thermochimica [3]. This work uses a machine learning based approach for constructing surrogate models to predict the stable phases in a multicomponent system. The surrogates were constructed using neural networks and Gaussian process classification. In this work, we compare the relative performance of the two methods. We also demonstrate the use of caching previous calculations by interpolating the values from nearest neighbors. References [1] Lindsay, A.D., et al. "2.0 – MOOSE: Enabling massively parallel multiphysics simulation", SoftwareX, 20 (2022): 101202. [2] Roos, W.A. and Zietsman J.H. "Accelerating complex chemical equilibrium calculations – A Review", Calphad, 77 (2022): 102380. [3] Piro, M.H.A., et al. "The thermochemistry library Thermochimica", Computational Materials Science, 67 (2013): 266-272.

36 MATERIALS SCIENCE↗
NASA NTRS1992

A quasi-static magnetospheric convection model in two-dimensions

A self-consistent 2D model of subsonic plasma sheet convection is presented. Specifically, time sequences of static equilibrium solutions for the 2D magnetospheric magnetic field are constructed consistent with adiabatic convection. This model self-consistently includes a dipole field and a reasonable accounting for the effects of inner magnetospheric shielding. Starting from a relaxed magnetospheric equilibrium, the earthward convection of plasma sheet flux tubes results in the stretching of inner plasma sheet field lines, the development of a local minimum in the equatorial magnetic field Be in the near-earth plasma sheet, and an increasing lobe magnetic field. This evolution in time occurs independent of the specific magnetopause or far-tail boundary conditions, provided the plasma sheet is not at marginal interchange stability. This behavior results solely from the convection of flux tubes of increasing entropy into the near-earth plasma sheet. These results are discussed in the general context of earthward convection in earth's plasma sheet and in the specific context of magnetospheric substorms.

Erickson, G. M.↗
DOE OSTI2023

Impact of phase state and non-ideal mixing on equilibration timescales of secondary organic aerosol partitioning

Abstract. Evidence has accumulated that secondary organic aerosols (SOAs) exhibit complex morphologies with multiple phases that can adopt amorphous semisolid or glassy phase states. However, experimental analysis and numerical modeling on the formation and evolution of SOA still often employ equilibrium partitioning with an ideal mixing assumption in the particle phase. Here we apply the kinetic multilayer model of gas–particle partitioning (KM-GAP) to simulate condensation of semi-volatile species into a core–shell phase-separated particle to evaluate equilibration timescales of SOA partitioning. By varying bulk diffusivity and the activity coefficient of the condensing species in the shell, we probe the complex interplay of mass transfer kinetics and the thermodynamics of partitioning. We found that the interplay of non-ideality and phase state can impact SOA partitioning kinetics significantly. The effect of non-ideality on SOA partitioning is slight for liquid particles but becomes prominent in semisolid or solid particles. If the condensing species is miscible with a low activity coefficient in the viscous shell phase, the particle can reach equilibrium with the gas phase long before the dissolution of concentration gradients in the particle bulk. For the condensation of immiscible species with a high activity coefficient in the semisolid shell, the mass concentration in the shell may become higher or overshoot its equilibrium concentration due to slow bulk diffusion through the viscous shell for excess mass to be transferred to the core phase. Equilibration timescales are shorter for the condensation of lower-volatility species into semisolid shell; as the volatility increases, re-evaporation becomes significant as desorption is faster for volatile species than bulk diffusion in a semisolid matrix, leading to an increase in equilibration timescale. We also show that the equilibration timescale is longer in an open system relative to a closed system especially for partitioning of miscible species; hence, caution should be exercised when interpreting and extrapolating closed-system chamber experimental results to atmosphere conditions. Our results provide a possible explanation for discrepancies between experimental observations of fast particle–particle mixing and predictions of long mixing timescales in viscous particles and provide useful insights into description and treatment of SOA in aerosol models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Measuring the Loschmidt Amplitude for Finite-Energy Properties of the Fermi-Hubbard Model on an Ion-Trap Quantum Computer

Calculating the equilibrium properties of condensed-matter systems is one of the promising applications of near-term quantum computing. Recently, hybrid quantum-classical time-series algorithms have been proposed to efficiently extract these properties from a measurement of the Loschmidt amplitude ⟨ ψ | e − i H ^ t | ψ ⟩ from initial states | ψ ⟩ and a time evolution under the Hamiltonian H ^ up to short times t . In this work, we study the operation of this algorithm on a present-day quantum computer. Specifically, we measure the Loschmidt amplitude for the Fermi-Hubbard model on a 16 -site ladder geometry (32 orbitals) on the Quantinuum H2-1 trapped-ion device. We assess the effect of noise on the Loschmidt amplitude and implement algorithm-specific error-mitigation techniques. By using a thus-motivated error model, we numerically analyze the influence of noise on the full operation of the quantum-classical algorithm by measuring expectation values of local observables at finite energies. Finally, we estimate the resources needed for scaling up the algorithm. Published by the American Physical Society 2024

Physics↗
DOE OSTI2022

Calorimetric study of skutterudite (CoAs2.92) and heazlewoodite (Ni3S2)

Abstract Nickel and cobalt arsenides, sulfarsenides, and sulfides occur in many hydrothermal ore deposits, but their thermodynamic properties are not well known, in some cases not known at all. In this work, we determined a full set of thermodynamic properties for heazlewoodite and skutterudite. Both phases were synthesized in evacuated silica tubes at elevated temperatures, and electron microprobe analyses gave their compositions as Ni3S2 and CoAs2.92, respectively. Enthalpies of formation were measured by high-temperature oxide-melt solution calorimetry. The reference phases were pure elements, thus eliminating any systematic errors related to such phases. The enthalpies of formation at T = 298.15 K and P = 105 Pa are –216.0 ± 8.4(2σ) and –88.2 ± 6.1 kJ·mol−1 for Ni3S2 and CoAs2.92, respectively. Entropies were calculated from low-temperature heat capacity (CP) data from relaxation (PPMS) calorimetry and are 133.8 ± 1.6 and 106.4 ± 1.3 J·mol–1·K–1, respectively. The calculated Gibbs free energies of formation are –210.0 ± 8.4 and –79.9 ± 6.2 kJ·mol−1 for Ni3S2 and CoAs2.92, respectively. The PPMS CP data, together with a set of differential scanning calorimetry measurements, were used to derive CP polynomials up to 700 K with the Kieffer model based on previously published frequencies of acoustic and optic modes. Equilibrium constants for selected reactions with an aqueous phase were calculated up to 700 K. Geochemical modeling in these systems, however, should await until more reliable data for other phases from the system Co-Ni-As-S are available.

Geochemistry & Geophysics↗
DOE OSTI2022

Air Exchange Rate Impact on Activity Equilibrium Factors and Inhalation Fractional Equilibrium Factors for Rn, Xe, Kr, Ar, Ne, and Their Progeny in Vapor Intrusion, Risk, and Dose Models

Exposure to the radioactive noble gasses, especially radon, is of high concern and poses a significant risk to humans in an indoor air environment as the second leading cause of lung cancer in the United States. To evaluate and minimize the risks posed by these gasses, it is important to understand their radiological and physical properties. The EPA’s Radon Vapor Intrusion Screening Level (RVISL) calculator calculates indoor air RVISLs based on target working levels (WLs), target excess lifetime cancer risk (ELCR), and annual dose limits for the actinon (Rn-219), thoron (Rn-220), and radon (Rn-222) decay series. The RVISLs are based on inhalation and submersion in gas cloud exposure routes for residential and commercial settings. The RVISLs are analogous to preliminary remediation goals (PRGs) and dose compliance concentrations (DCCs), where the isotope-specific values are in units of activity concentration (activity per unit volume). If the concentration of a parent isotope of radon or its progeny is found to exceed the RVISL, then further action to ensure cleanup of the contaminant may be necessary. In residential and commercial settings, the RVISLs will vary based on the air exchange rate present. The EPA’s Radionuclide PRG and DCC Calculators also assess the risk/dose from noble gases in the air due to household use of water like showering. In this study, a computational method in MATLAB was developed to determine the impact of the air exchange rate on the activity equilibrium factor (A eq ) and the inhalation fractional equilibrium factor (F eq ). Both factors are values that reflect the equilibrium concentrations of progeny to their parent in the air. These factors have a direct impact on the RVISL, PRG, and DCC calculations of WL, ELCR, and annual dose, respectively. This study builds on a previous report that only focused on actinon, thoron, and radon by revisiting the original A eq and F eq calculation methods, as well as including the values for the Rn-207, Rn-209, Rn-210, Rn-211, Rn-215, Rn-216, Rn-217, Rn-218, Rn-223, Ne-24, Ar-42, Ar-43, Ar-44, Kr-74, Kr-75, Kr-76, Kr-77, Kr-88, Kr-89, Xe-120, Xe-121, Xe-122, Xe-123, Xe-135m, and Xe-138 decay chains, which are not currently available in literature. The EPA’s RVISL calculator will be updated to include the new A eq and F eq values for the actinon, thoron, and radon decay chains, while the rest of the calculators will incorporate all the new A eq and F eq values as appropriate.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2022

Database-wide hazard modelling of the onset of DIII-D tearing modes with field features

The rate of onset (hazard) of tearing modes is modelled probabilistically using statistical learning algorithms. Axisymmetric energy-density equilibrium fields are taken as raw high-dimensional input features which are reduced with principal component analysis. Signal processing of non-axisymmetric magnetics fluctuation array data provides the target information from which to learn. Model selection, visualization and calibration assessment procedures are detailed. Here, the analysis is deployed at large scale across the DIII-D tokamak database. Standard model selection criteria suggest that the energy-density post-processed feature is a better choice for modelling the onset rate compared to the non-processed equilibrium reconstruction solution. Two example applications of the learned rate function are demonstrated: (i) proximity-to-onset discharge monitoring and (ii) database analysis showing an (expected) observational global trend that the general hazard increases as a plasma performance metric increases. An important connection between the hazard function and its use as a conditional probability generator is reviewed in the Appendix.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

The Voyager 1 EUV spectrum of the Io plasma torus

The Voyager 1 EUV spectrum of the hot Io plasma torus obtained before encounter in 1979 at a range of 4,800,000 km is analyzed in terms of a collisional model with improved collision strengths. Model calculations are based entirely on steady-state equilibrium between electron excitation-deactivation and radiative decay in the subspecies structure, and plasma temperature and species number densities are derived by fitting model spectra to the observations. Lines of S II, S III, S IV, O II, and O III are found to be dominant in the plasma torus, at torus half width densities of 44, 160, 220, 50, and 340/cu cm, respectively, and lines of S V and K III may also be present. An effective electron temperature of 80,000 K is estimated for the central dense region near 6 Jupiter radii. Model calculations are in substantial agreement with other spectroscopic observations of the hot torus; however, the observations exhibit strong morphological differences with recent ground-based observations of S II emission, and calculated ion densities differ from in situ Voyager 1 plasma science measurements.

Shemansky, D. E.↗
NASA NTRSDate not supplied

HCN emissions from the explosive volcanic eruption of Mt. Pinatubo, Philippines, in June 1991

In June 1991, Mt. Pinatubo explosively erupted magma and overlying rock, with ejecta reaching stratospheric altitudes. The sulphate aerosol burden resulting from the 1991 eruption was still measurable in 1992 and its complete removal took 5-6 years. Here we present new analyses of measurements by the ATMOS instrument on the Atlas-1 Space Shuttle mission and the MkIV balloon interferometer in 1992 that show about 40-50 ppt of unexpected excess HCN in the middle stratosphere. HCN has no stratospheric sources and a lifetime of several years. Multi-year runs with the GEOS-Chem Chemistry-Transport model have been performed in order to derive the most plausible HCN injection amounts. The overall structure of the modeled HCN agrees reasonably well with observations by MkIV and ATMOS. The current best estimate is an emission of about 6 kt of HCN into the stratosphere at an altitude of about 23 km. This compares to a total gas emission in the order of 70-700 Mt, based on an emission of 14 Mt SO2 and an SO2/total gas ratio of 2% - 20%. We will discuss possible sources and formation mechanisms of the HCN. These include abiotic formation during or prior to the eruption and may involve HCN accumulated in the subaerial volcanic-hydrothermal system of Mt. Pinatubo. We present results from thermochemical equilibrium calculations as well as photochemical plume modeling in order to provide plausibility constraints on the source of the HCN.

Armin Kleinboehl↗
DOE OSTI2022

Dynamical instability of collapsed dark matter halos

A self-interacting dark matter halo can experience gravothermal collapse, resulting in a central core with an ultrahigh density. It can further contract and collapse into a black hole, a mechanism proposed to explain the origin of supermassive black holes. We study dynamical instability of the core in general relativity. Here we use a truncated Maxwell-Boltzmann distribution to model the dark matter distribution and solve the Tolman-Oppenheimer-Volkoff equation. For given model parameters, we obtain a series of equilibrium configurations and examine their dynamical instability based on considerations of total energy, binding energy, fractional binding energy, and adiabatic index. Our numerical results indicate that the core can collapse into a black hole when the fractional binding energy reaches 0.035 with a central gravitational redshift of 0.5. We further show for the instability to occur in the classical regime, the boundary temperature of the core should be at least 10% of the mass of dark matter particles; for a 10 9 M ⊙ seed black hole, the particle mass needs to be larger than a few keV. These results can be used to constrain different collapse models, in particular, those with dissipative dark matter interactions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Intermodel Spread in the Pattern Effect and Its Contribution to Climate Sensitivity in CMIP5 and CMIP6 Models

Radiative feedbacks depend on the spatial patterns of sea surface temperature (SST) and thus can change over time as SST patterns evolve—the so-called pattern effect. In this study, we investigate intermodel differences in the magnitude of the pattern effect and how these differences contribute to the spread in effective equilibrium climate sensitivity (ECS) within CMIP5 and CMIP6 models. Effective ECS in CMIP5 estimated from 150-yr-long abrupt4×CO2 simulations is on average 10% higher than that estimated from the early portion (first 50 years) of those simulations, which serves as an analog for historical warming; this difference is reduced to 7% on average in CMIP6. The (negative) net radiative feedback weakens over the course of the abrupt4×CO2 simulations in the vast majority of CMIP5 and CMIP6 models, but this weakening is less dramatic on average in CMIP6. For both ensembles, the total variance in the effective ECS is found to be dominated by the spread in radiative response on fast time scales, rather than the spread in feedback changes. Using Green’s functions derived from two AGCMs shows that the spread in feedbacks on fast time scales may be primarily due to differences in atmospheric model physics, whereas the spread in feedback evolution is primarily governed by differences in SST patterns. Intermodel spread in feedback evolution is well explained by differences in the relative warming in the West Pacific warm-pool regions for the CMIP5 models, but this relation fails to explain differences across the CMIP6 models, suggesting that a stronger sensitivity of extratropical clouds to surface warming may also contribute to feedback changes in CMIP6.

54 ENVIRONMENTAL SCIENCES↗