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At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Gravitational waves from binary neutron star mergers with a spectral equation of state

In numerical simulations of binary neutron star systems, the equation of state of the dense neutron star matter is an important factor in determining both the physical realism and the numerical accuracy of the simulations. Some equations of state used in simulations are C 2 or smoother in the pressure/density relationship function, such as a polytropic equation of state, but may not have the flexibility to model stars or remnants of different masses while keeping their radii within known astrophysical constraints. Other equations of state, such as tabular or piece-wise polytropic, may be flexible enough to model additional physics and multiple stars' masses and radii within known constraints, but are not as smooth, resulting in additional numerical error. We will study in this paper a recently developed family of equation of state, using a spectral expansion with sufficient free parameters to allow for a larger flexibility than current polytropic equations of state, and with sufficient smoothness to reduce numerical errors compared to tabulated or piece-wise polytropic equations of state. We perform simulations at three mass ratios with a common chirp mass, using two distinct spectral equations of state, and at multiple numerical resolutions. We evaluate the gravitational waves produced from these simulations, comparing the phase error between resolutions and equations of state, as well as with respect to analytical models. From our simulations we estimate that the phase difference at merger for binaries with a dimensionless weighted tidal deformability difference greater than Δ$\tilde{Λ}$=55 can be captured by the SpEC code for these equations of state.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Tar Production from Biomass Pyrolysis in a Fluidized Bed Reactor: A Novel Turbulent Multiphase Flow Formulation

A novel multiphase flow model is presented for describing the pyrolysis of biomass in a 'bubbling' fluidized bed reactor. The mixture of biomass and sand in a gaseous flow is conceptualized as a particulate phase composed of two classes interacting with the carrier gaseous flow. The solid biomass is composed of three initial species: cellulose, hemicellulose and lignin. From each of these initial species, two new solid species originate during pyrolysis: an 'active' species and a char, thus totaling seven solid-biomass species. The gas phase is composed of the original carrier gas (steam), tar and gas; the last two species originate from the volumetric pyrolysis reaction. The conservation equations are derived from the Boltzmann equations through ensemble averaging. Stresses in the gaseous phase are the sum of the Newtonian and Reynolds (turbulent) contributions. The particulate phase stresses are the sum of collisional and Reynolds contributions. Heat transfer between phases, and heat transfer between classes in the particulate phase is modeled, the last resulting from collisions between sand and biomass. Closure of the equations must be performed by modeling the Reynolds stresses for both phases. The results of a simplified version (first step) of the model are presented.

Bellan, J.↗
DOE OSTI2025

Fuzzy spheres in stringy matrix models: quantifying chaos in a mixed phase space

We consider a truncation of the BMN matrix model to a configuration of two fuzzy spheres, described by two coupled non-linear oscillators dependent on the mass parameter μ. The classical phase diagram of the system generically (μ ≠ 0) contains three equilibrium points: two centers and a center-saddle; as μ → 0 the system exhibits a pitchfork bifurcation. We demonstrate that the system is exactly integrable in quadratures for μ = 0, while for very large values of μ, it approaches another integrable point characterized by two harmonic oscillators. The classical phase space is mixed, containing both integrable islands and chaotic regions, as evidenced by the classical Lyapunov spectrum. At the quantum level, we explore indicators of early and late time chaos. The eigenvalue spacing is best described by a Brody distribution, which interpolates between Poisson and Wigner distributions; it dovetails, at the quantum level, the classical results and reemphasizes the notion that the quantum system is mixed. We also study the spectral form factor and the quantum Lyapunov exponent, as defined by out-of-time-ordered correlators. These two indicators of quantum chaos exhibit weak correlations with the Brody distribution. We speculate that the behavior of the system as μ → 0 dominates the spectral form factor and the quantum Lyapunov exponent, making these indicators of quantum chaos less effective in the context of a mixed phase space.

AdS-CFT correspondence↗
DOE OSTI2022

Modelling and computational improvements to the simulation of single vector-boson plus jet processes for the ATLAS experiment

This paper presents updated Monte Carlo configurations used to model the production of single electroweak vector bosons (W, Z/γ$^{∗}$) in association with jets in proton-proton collisions for the ATLAS experiment at the Large Hadron Collider. Improvements pertaining to the electroweak input scheme, parton-shower splitting kernels and scale-setting scheme are shown for multi-jet merged configurations accurate to next-to-leading order in the strong and electroweak couplings. The computational resources required for these set-ups are assessed, and approximations are introduced resulting in a factor three reduction of the per-event CPU time without affecting the physics modelling performance. Continuous statistical enhancement techniques are introduced by ATLAS in order to populate low cross-section regions of phase space and are shown to match or exceed the generated effective luminosity. This, together with the lower per-event CPU time, results in a 50% reduction in the required computing resources compared to a legacy set-up previously used by the ATLAS collaboration. The set-ups described in this paper will be used for future ATLAS analyses and lay the foundation for the next generation of Monte Carlo predictions for single vector-boson plus jets production.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Thermodynamic stabilization of nanocrystalline aluminum

Nanocrystalline metals are generally unstable due to a large volume fraction of high-energy grain boundaries associated with a small grain size. Preferential dopant segregation to the high-energy grain boundaries is observed to enhance the stability of the material’s microstructure by minimizing its energy. Nanocrystalline aluminum-dopant systems were evaluated for thermodynamic stability against grain growth and phase precipitation via the mechanism of grain boundary segregation according to a modified regular nanocrystalline solution model. Fifty-one potential dopant elements have been evaluated for their efficacy in stabilizing nanostructures with three potential candidates, magnesium, lanthanum, and silicon, identified possessing the characteristics to promote grain boundary segregation and a state of thermodynamic stability in aluminum’s nanocrystalline regime. Here, the minimum dopant content required to achieve nanocrystalline microstructure stability is identified for each of the three candidate elements. Beyond this minimum content, further addition of the dopant elements decreased the final microstructure’s stability with no effects on the existence of a stable nanocrystalline state.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optimal management of electric hotel loads in mild hybrid heavy duty truck

Here, the problem of engine idling for heavy-duty trucks has been under study for decades with Auxiliary Power Units (APUs) and Truck Stop Electrification (TSE) as the most compelling solutions. With the electrification of trucks approaching feasibility in terms of cost-effective technology, hybridization offers another “degree of freedom” to tackle the problem. Here, this work aims at exploiting a battery pack of a 48 V mild-hybrid heavy-duty truck to store sufficient onboard energy for powering the auxiliary loads during the hoteling. This problem is not trivial, as the battery packs typically cannot recover the entire energy required through regeneration alone; hence an optimal energy management strategy needs to be employed to charge the battery through the engine during drive operation. This strategy optimizes powertrain performances among the four modes: (i) Engine of Coasting (EOC), (ii) Regeneration by braking, (iii) Regeneration by engine, and (iv) engine idling. This paper presents the development of a Dynamic Programming (DP) framework that employs a multi-objective cost function to minimize the fuel consumption and maximize the regeneration using the above-mentioned four modes. A typical heavy-duty truck drive cycle is used to represent the drive phase, with mandatory hoteling stops as per regulations. A comprehensive powertrain model is developed using validated components’ model. The DP employs two state variables: battery State-of-Charge (SOC) and engine mode, and three control inputs: (i) the engine ON–OFF state, (ii) clutch engagement state, and (iii) power request at the Electric Machine (EM) for calculating optimal SOC trajectory. The framework also tackles rapid engine ON–OFF scenarios to avoid the challenges associated with DP and the compromises in fuel cost with those approaches. Finally, the effectiveness of the proposed framework is tested for potential fuel savings on two different battery packs by performing the full cycle simulations. The results show 6.47% of fuel consumption reduction as compared to traditional APU-based heavy-duty truck.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

An ion specific continuum model on ionic surfactant's binary phase diagram in aqueous solution

Here, a continuum aggregation model is proposed to account for specific ion effects, enabling accurate phase diagrams calculations for the micellar, cylindrical and lamellar aggregates of sodium/potassium carboxylate surfactants in aqueous solution across a range of temperatures. Three groups of concentrations at distinctive temperatures are fitted to build empirical temperature dependence given the limited availability of relevant experimental measurements. The specific ion effects are manifested in the aggregates' surface tension as well as in the distributions of counter-ions' concentrations in the vicinity of the aggregates. The aggregates' geometric sizes are well-reproduced. The differential evolution algorithm is applied to address boundary conditions of the electrostatic potential, aggregate size optimization as well as the equilibrium of monomers transferring between the aggregate and aqueous region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Quantum Monte Carlo study of lattice polarons in the two-dimensional three-orbital Su–Schrieffer–Heeger model

The electron–lattice interaction gives rise to a rich set of phenomena in quantum materials. Microscopically, this interaction often arises from the modulation of orbital overlaps; however, many theoretical studies neglect such couplings. Here, we present an exact diagonalization and determinant quantum Monte Carlo study of a three-orbital Su–Schrieffer–Heeger (SSH) model, on a two-dimensional Lieb lattice and in the negative charge transfer regime. At half-filling (one hole/unit cell), we observe a bipolaron insulating phase with a bond-disproportionate lattice. This phase is robust against moderate hole doping but is suppressed at large hole concentrations, leading to a metallic polaron-liquid-like state with fluctuating patches of local distortions. We also find an s-wave superconducting state at large hole doping that primarily appears on the oxygen sublattice. Our work provides a non-perturbative view of SSH-type couplings in two dimensions with implications for materials where such couplings are dominant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Geologic framework model for the Dry Alluvium Geology (DAG) experiment testbed, Yucca Flat, Nevada National Security Site

Geologic framework models (GFMs) provide a methodology for integrating geology into, and thus geologically informing, other modeling and simulation activities. GFMs provide a three-dimensional (3-D), geology-based digital framework for developing and parametrizing meshes and evaluating model and simulation results. This report describes a 3-D GFM constructed for the Source Physics Experiment Phase II Dry Alluvium Geology test series located in Yucca Flat at the Nevada National Security Site. The geology in the Yucca Flat region is complex and diverse, which creates challenges to modeling seismic wave propagation from SPE tests. The Yucca Flat GFM helps address these challenges by providing the 3-D distribution of relevant geologic features and physical properties necessary to more effectively model seismic wave propagation. The GFM includes 7 model layers and 48 faults that cut and offset the layers. An appendix is included that provides quantitative data on physical properties for each model layer.

58 GEOSCIENCES↗
NASA NTRS1984

Aerodynamic heating rate distributions induced by trailing edge controls on hypersonic aircraft configurations at Mach 8

Aerodynamic surface heating rate distributions in three dimensional shock wave boundary layer interaction flow regions are presented for a generic set of model configurations representative of the aft portion of hypersonic aircraft. Heat transfer data were obtained using the phase change coating technique (paint) and, at particular spanwise and streamwise stations for sample cases, by the thin wall transient temperature technique (thermocouples). Surface oil flow patterns are also shown. The good accuracy of the detailed heat transfer data, as attested in part by their repeatability, is attributable partially to the comparatively high temperature potential of the NASA-Langley Mach 8 Variable Density Tunnel. The data are well suited to help guide heating analyses of Mach 8 aircraft, and should be considered in formulating improvements to empiric analytic methods for calculating heat transfer rate coefficient distributions.

Kaufman, L. G., II↗
NASA NTRS1988

Energy and mass balance in the three-phase interstellar medium

Details of the energy and mass balances are considered in the context of a three-phase interstellar medium. The rates of mass exchange between the different phases are derived based on the pressure variations created by supernova remnant expansions. It is shown that the pressure-confined warm and cold gases have stable temperatures under a variety of interstellar conditions. The three-phase quasi-static configuration is found to be a natural outcome, and both warm and cold phases generally contribute about half of the total mass density to the diffuse interstellar gas. The model is also likely to be self-regulatory in the sense that variations of the input parameters do not strongly alter the general result, which is consistent with most current observations. The consequences of extreme conditions on this model are considered, and the possible implications for interstellar medium in other galaxies are briefly discussed.

Wang, Zhong↗
NASA NTRS1989

Modeling study of a tropical squall-type convective line

The dynamic and microphysical processes associated with convective and stratiform regions in a tropical squall-type convective line are studied with a multidimensional, time-dependent cloud scale model. It is found that a two-dimensional model reproduces many features of tropical squall systems, including the fractional portion of stratiform rain and the stratiform fractional area coverage. A three-dimensional model did not capture stratiform features, but did simulate explosive growth and a convex-leading edge associated with the convective region. Results are presented from sensitivity tests on ice-phase microphysical processes and mesoscale middle and upper level ascent.

Tao, Wei-Kuo↗
NASA NTRS1990

On sublayer streaks

Turbulent sublayer streaks are studied with the aid of a simplified theoretical model. In this the nonlinear activity is assumed to be intermittent and to act locally in space during a very short initial time so as to set up the initial conditions for the subsequent linear and inviscid evolution of the resulting three-dimensional flow disturbance. The mean shear flow is taken as a parallel one and a correction for the long-tern effects of viscosity is applied. A model for the initial nonlinear phase is chosen to represent the local Reynolds stresses that would be produced by a patch of local inflectional instability. The streamwise dimension of the resulting eddy is found to grow linearly with time in accordance with the algebraic instability mechanism (Landahl 1980). The associated Reynolds shear stress is expressible in a simple manner in terms of the liftup of the fluid elements and is suggestive of an algebraic-type Reynolds stress model similar to, but not identical to, that of Prandtl's (1925) mixing-length theory.

Landahl, M. T.↗
NASA NTRS1999

Effects of Cabin Upsets on Adsorption Columns for Air Revitalization

The National Aeronautics and Space Administration (NASA) utilizes adsorption technology as part of contaminant removal systems designed for long term missions. A variety of trace contaminants can be effectively removed from gas streams by adsorption onto activated carbon. An activated carbon adsorption column meets NASA's requirements of a lightweight and efficient means of controlling trace contaminant levels aboard spacecraft and space stations. The activated carbon bed is part of the Trace Contaminant Control System (TCCS) which is utilized to purify the cabin atmosphere. TCCS designs oversize the adsorption columns to account for irregular fluctuations in cabin atmospheric conditions. Variations in the cabin atmosphere include changes in contaminant concentrations, temperature, and relative humidity. Excessively large deviations from typical conditions can result from unusual crew activity, equipment malfunctions, or even fires. The research carried out under this award focussed in detail on the effects of cabin upsets on the performance of activated carbon adsorption columns. Both experiments and modeling were performed with an emphasis on the roll of a change in relative humidity on adsorption of trace contaminants. A flow through fixed-bed apparatus was constructed at the NASA Ames Research Center, and experiments were performed there by W. Scot Appel under the direction of Dr. John E. Finn. Modeling work was performed at the University of Virginia and at Vanderbilt University by W. Scot Appel under the direction of M. Douglas LeVan. All three participants collaborated in all of the various phases of the research. The most comprehensive document describing the research is the Ph.D. dissertation of W. Scot Appel. Results have been published in several papers and presented in talks at technical conferences. All documents have been transmitted to Dr. John E. Finn.

LeVan, M. Douglas↗
NASA NTRS2003

Nonlinear Modeling and Control of a Propellant Mixer

A mixing chamber used in rocket engine combustion testing at NASA Stennis Space Center is modeled by a second order nonlinear MIMO system. The mixer is used to condition the thermodynamic properties of cryogenic liquid propellant by controlled injection of the same substance in the gaseous phase. The three inputs of the mixer are the positions of the valves regulating the liquid and gas flows at the inlets, and the position of the exit valve regulating the flow of conditioned propellant. The outputs to be tracked and/or regulated are mixer internal pressure, exit mass flow, and exit temperature. The outputs must conform to test specifications dictated by the type of rocket engine or component being tested downstream of the mixer. Feedback linearization is used to achieve tracking and regulation of the outputs. It is shown that the system is minimum-phase provided certain conditions on the parameters are satisfied. The conditions are shown to have physical interpretation.

Barbieri, Enrique↗
DOE OSTI2025

Thermodynamic Modeling of Complex Solid Solutions in the Lu-H-N System via Graph Neural Network Accelerated Monte Carlo Simulations

Metal hydrides are important across diverse applications, such as hydrogen storage, batteries, gas sensors, nuclear reactions, and high-temperature superconductivity. Previous computational studies of metal hydrides under extreme pressures, e.g., 𝑂⁡(10 2 ) ⁢GPa, usually treat them as stoichiometric compounds without considering interstitial lattice disorder. As pressures become more moderate in the 𝑂⁡(10 0 ) ⁢GPa and below range, hydrogen disorder at interstitial lattice sites becomes prominent, e.g., in the N-doped Lu hydride that was recently claimed superconducting near 1 GPa. Further adding compositional complexity from alloying and/or multielement interstitial occupation makes elucidating pressure- and temperature-dependent observables intractable by first-principles calculations alone. We therefore propose a lattice graph neural-network surrogate modeling approach to predict configuration- and pressure-dependent equation-of-state properties. Their efficiency permits Monte Carlo simulations to calculate Gibbs energies and pressure-dependent phase diagrams, thereby revealing insights into the synthesis conditions required for achieving desired phase equilibria. We demonstrate this concept for the compositionally complex cubic Lu(H,N,Va) 3 system where three constituents (hydrogen, nitrogen and vacancy) have disordered multielement interstitial occupancies and insights into pressure-dependent phase equilibria are critically needed, e.g., N-doping levels can significantly lower dehydrogenation temperatures and provide a new strategy to optimize hydrogen-storage alloys. This work can improve the thermodynamic understanding of the Lu-H-N system and help rational synthesis of N-doped Lu hydrides, but more generally demonstrates an efficient approach to model pressure-dependent thermodynamics of multicomponent solid solutions.

Monte Carlo methods↗
DOE OSTI2021

Theory of the charge density wave in A V 3 Sb 5 kagome metals

The family of metallic kagome compounds AV 3 Sb 5 (A = K, Rb, Cs) was recently discovered to exhibit both superconductivity and charge order. The nature of the charge density wave (CDW) phase is presently unsettled, which complicates the interpretation of the superconducting ground state. In this paper, we use group theory and density functional theory (DFT) to derive and solve a phenomenological Landau model for this CDW state. The DFT results reveal three unstable phonon modes with the same in-plane momentum but different out-of-plane momenta, whose frequencies depend strongly on the electronic temperature. This is indicative of an electronically driven CDW, stabilized by features of the in-plane electronic dispersion. Motivated by the DFT analysis, we construct a Landau free-energy expansion for coupled CDW order parameters with wave vectors at the M and L points of the hexagonal Brillouin zone. We find an unusual trilinear term coupling these different order parameters, which can promote the simultaneous condensation of both CDWs even if the two modes are not nearly degenerate. We classify the different types of coupled multi-Q CDW orders, focusing on those that break the sixfold rotational symmetry and lead to a unit-cell doubling along all three crystallographic directions, as suggested by experiments. Here, we determine a region in parameter space, characterized by large nonlinear Landau coefficients, where these phases—dubbed staggered trihexagonal and staggered Star of David—are the leading instabilities of the system. Finally, we discuss the implications of our results for the kagome metals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Contrast Between 1992 and 1997 High Latitude Spring Haloe Observations of Lower Stratospheric HCl

HCl measurements from HALOE in the northern hemisphere during mid-May 1997 revealed vortex fragments in which the chlorine reservoir partitioning was strongly pushed toward HCl (approx. 90% HCl, approx. 10% ClONO2), similar to partitioning previously observed in the Antarctic vortex region. In contrast, observations of ClONO2 and HCl in the northern polar spring, 1992, and in other years, show these species established the balance typical for gas phase photochemical reactions in this region (approx. 60% HCl, approx. 40% ClONO2). Annually, chlorine reservoirs in the winter lower stratosphere polar vortex are converted to chlorine radicals via heterogeneous reactions on particle surfaces at very cold temperatures (less than about 200 K). As temperatures warm in spring, the heterogeneous processes become insignificant compared with gas phase reactions, and the chlorine reservoirs are reformed. Measurements through the northern winter/spring in 1992 show rapid formation of ClONO2, followed by steady loss of ClONO2 and increasing HCl. Although ClONO2 measurements are not available for 1997, the HCl increase in 1997 is observed to be much more rapid and the eventual HCl mixing ratio is about 50% greater than that of 1992. The observations are examined through comparison with the Goddard three-dimensional chemistry and transport model. This model utilizes winds and temperatures from the Goddard Earth Observing System Data Assimilation System and a complete integration scheme for stratospheric photochemistry. Analysis of the evolution of HCl and ClONO2 shows that the observed difference in the overall rate of HCl formation is explained by the sensitivity of the gas-phase chemistry to the ozone mixing ratio and the temperature. The results show that the model accurately simulates HCl and ClONO2 evolution during these two winters. Model validity is further supported by comparisons with O3 and reactive nitrogen species NO and NO2. This analysis provides a sensitive test of the lower stratospheric chlorine photochemistry, particularly because the analysis considers constituent evolution at a time when the HCl and ClONO2 are far from a photochemical stationary state.

Douglass, A. R.↗