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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Bayesian inference of fine features of the nuclear equation of state from future neutron star radius measurements to 0.1 km accuracy

To more precisely constrain the equation of state (EOS) of supradense neutron-rich nuclear matter, future high-precision x-ray and gravitational wave observatories are proposed to measure the radii of neutron stars (NSs) with an accuracy better than about 0.1 km. However, it remains unclear what particular aspects (other than the stiffness generally spoken of in the literature) of the EOS and to what precision they will be better constrained. In this work, within a Bayesian framework using a metamodel EOS for NSs, we infer the posterior probability distribution functions (PDFs) of incompressibility K 0 and skewness J 0 of symmetric nuclear matter (SNM) as well as the slope L, curvature K sym , and skewness J sym characterizing the density dependence of nuclear symmetry energy E sym ⁡(ρ), respectively, from mean values of NS radii consistent with existing observations and an expected accuracy Δ⁢R ranging from about 1.0 to 0.1 km. Here, we found that (1) the Δ⁢R has little effect on inferring the stiffness of SNM at suprasaturation densities, (2) smaller Δ⁢R reveals more accurately not only the PDFs but also pairwise correlations among parameters characterizing high-density E sym ⁡(ρ), (3) a double-peak feature of the PDF(K sym ) corresponding to the strong K sym – J sym and K sym – L anticorrelations is revealed when Δ⁢R is less than about 0.2 km, and the locations of the two peaks are sensitive to the maximum value of J sym reflecting the stiffness of E sym ⁡(ρ) above about 3 times the saturation density ρ 0 of SNM, and (4) the high-precision radius measurement for canonical NSs is more useful than that for massive ones for constraining the EOS of nucleonic matter around (2–3)⁢ρ 0 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Nonparametric extensions of nuclear equations of state: Probing the breakdown scale of relativistic mean-field theory

Phenomenological calculations of the properties of dense matter, such as relativistic mean-field theories, represent a pathway to predicting the microscopic and macroscopic properties of neutron stars. However, such theories do not generically have well-controlled uncertainties and may break down within neutron stars. To faithfully represent the uncertainty in this breakdown scale, we develop a hybrid representation of the dense-matter equation of state, which assumes the form of a relativistic mean-field theory at low densities, while remaining agnostic to any nuclear theory at high densities. To achieve this, we use a nonparametric equation of state model to incorporate the correlations of the underlying relativistic mean-field theory equation of state at low pressures and transition to more flexible correlations above some chosen pressure scale. We perform astrophysical inference under various choices of the transition pressure between the theory-informed and theory-agnostic models. Here, we further study whether the chosen relativistic mean-field theory breaks down above some particular pressure and find no such evidence. Using simulated data for future astrophysical observations at about two-to-three times the precision of current constraints, we show that our method can identify the breakdown pressure associated with a potential strong phase transition.

Equations of state of nuclear matter↗
DOE OSTI2025

SESAME: The Los Alamos National Laboratory’s Tabulated Equation of State Database Description with Extensions for Multi-phase Representations

Modeling of the thermodynamic equation of state (EOS) of various materials has had a long storied tradition at LANL. As early as 1949 Feynman, Metropolis, and Teller published a paper presenting EOS values for some elements and a methodology for calculating the EOS at high compression [1]. Cowan and Ashkin made notable methodology improvements for compressed materials throughout the 1950’s and beyond [2]. In 1971 Jack Barnes and Jerry Rood created the SESAME database and by 1972 the database became publicly available.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Neutron skin systematics from microscopic equations of state

This paper presents an analysis of neutron skins based on fully microscopic equations of state, including chiral two- and three-nucleon forces consistently at N 3 LO. Other theoretical predictions and recent constraints are also addressed, such as those from the PREX II experiment and the latest parity-violating electron scattering measurement of the 27 Al neutron skin.

Equation of State↗
DOE OSTI2022

Extending a scaling equation of state to QCD

Whether quantum chromodynamics (QCD) exhibits a phase transition at finite temperature and density is an open question. It is important for hydrodynamic modeling of heavy ion collisions and neutron-star mergers. Lattice QCD simulations have definitively shown that the transition from hadrons to quarks and gluons is a crossover when the baryon chemical potential is zero or small. Here, we combine the parametric scaling equation of state, usually associated with the three-dimensional Ising model, with a background equation of state based on a smooth crossover from hadrons to quarks and gluons. Comparison to experimental data from the Beam Energy Scan II at the Relativistic Heavy Ion Collider or in heavy ion experiments at other accelerators may allow the critical exponents and amplitudes in the scaling equation of state to be determined for QCD if a critical point exists.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

High-pressure crystal structure and equation of state of ferromagnesian jeffbenite: implications for stability in the transition zone and uppermost lower mantle

Jeffbenite, ideally Mg 3 Al 2 Si 3 O 12 , has been identified as inclusions in super-deep diamonds originating from depths that exceed 300 km. Although Mg-end member jeffbenite has limited stability at upper-mantle conditions, iron-bearing jeffbenite may have broader P–T stability that extends to the transition zone or uppermost lower mantle, incorporating significant amounts of ferric iron. Using synchrotron-based, single-crystal X-ray diffraction (XRD) and synchrotron Mössbauer spectroscopy (SMS) at pressures up to 29 GPa, we report the crystal structure, compressibility, and likely spin transition of iron in ferromagnesian jeffbenite (Mg 2.32 Al 0.03 Fe 2+ 1.28 Fe 3+ 1.77 Si 2.85 O 12 ). High-pressure structure refinements reveal that Fe 3+ substitution for Si in the T2 site, which shares edges with the M2 octahedron, likely stabilizes jeffbenite at high pressure, because it increases the cation-to-cation distance between these sites. Although ferromagnesian jeffbenite does not undergo a structural phase transition below 30 GPa, SMS hyperfine parameters suggest the onset of an electronic spin transition of iron from high-spin (HS) to low-spin (LS) at around 22 GPa, which may increase its stability at high pressures. Pressure–volume data were fit to a third order Birch–Murnaghan equation of state, resulting in V o = 816.54(9), K To = 181.54(1.39), and K' T0 = 2.76(14). These equation of state parameters are applicable to evaluating the encapsulation pressures of super-deep diamonds. The density and bulk modulus of ferromagnesian jeffbenite are similar to or higher than pyrope–almandine, pyrope–majorite, and skiagite–majorite solid solution garnets, further suggesting that jeffbenite may be an important ferric–iron silicate in the deeper parts of the mantle transition zone and uppermost lower mantle. Furthermore, future studies on the influence of temperature and oxidation state on the stability and equations of state of iron-bearing jeffbennite are still needed to determine what role, if any, jeffbenite plays in transition-zone mineralogy.

58 GEOSCIENCES↗
DOE OSTI2023

Proton and Λ flow and the equation of state at high density

Results on proton and Λ flow, calculated with the UrQMD model that incorporates different realistic density dependent equations of state, are presented. It is shown that the proton and hyperon flow shows sensitivity to the equation of state and especially to the appearance of a phase transition at densities below 4n0. Even though qualitatively hyperons and protons exhibit the same beam energy dependence of the flow, the quantitative results are different. In this context it is suggested that the hyperon measurements can be used to study the density dependence of the hyperon interaction in high density QCD matter.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Tabulated equations of state from models informed by chiral effective field theory

Abstract We construct four equation of state (EoS) tables, tabulated over a range of temperatures, densities, and charge fractions, relevant for neutron star applications such as simulations of neutron star mergers. The EoS are computed from a relativistic mean-field theory constrained by the pure neutron matter EoS from chiral effective field theory, inferred properties of isospin-symmetric nuclear matter, and astrophysical observations of neutron star structure. To model nuclear matter at low densities, we attach an EoS that models inhomogeneous nuclear matter at arbitrary temperatures and charge fractions. The four EoS tables we develop are available from the CompOSE EoS repository https://compose.obspm.fr/eos/297 and gitlab.com/ahaber/qmc-rmf-tables .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization

Equations of state (EOSs) are a key component in running hydrodynamic simulations as they relate the thermodynamic states for the material. The Davis reactants EOS is commonly used for modeling high explosives (HEs), and the EOS model parameters are calibrated using material specific data. The calibrations are often performed with uncertainty quantification via Bayesian inference to account for uncertainty in the data and generate ensembles of likely parameters. However, there are relatively few HE data sets to use for calibration and many are historical and lack error information. In this work, we simultaneously calibrate the Davis reactants EOS model parameters and unknown data error terms for the high explosive PBX 9501. To quantify the uncertainty in the models and the data, we use a Bayesian framework for the calibration and compute the hierarchical Bayesian posterior distribution with both a posteriori maximization approach and Markov Chain Monte Carlo. In general, we find that, given our assumptions, the two approaches result in similar calibrated parameters, posterior covariance matrices, and insights about the parameters but that the posterior maximization requires far less computational resources.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Astrophysical Equation-of-State Constraints on the Color-Superconducting Gap

We demonstrate that astrophysical constraints on the dense-matter equation of state place an upper bound on the color-superconducting gap in dense matter above the transition from nuclear matter to quark matter. Pairing effects in the color-flavor locked quark matter phase increase the pressure at high density, and if this effect is sufficiently large then the requirements of causality and mechanical stability make it impossible to reach such a pressure in a way that is consistent with what is known at lower densities. The intermediate-density equation of state is inferred by considering extensions of chiral effective field theory to neutron star densities, and conditioning these using current astrophysical observations of neutron star radius, maximum mass, and tidal deformability (PSR J⁢0348+0432, PSR J1624-2230, PSR J⁢0740+6620, GW170817). At baryon number chemical potential μ = 2.6 GeV we find a 95% upper limit on the color-flavor locked pairing gap Δ of 457 MeV using overly conservative assumptions and 216 MeV with more reasonable assumptions. Furthermore, this constraint may be strengthened by future astrophysical measurements as well as by future advances in high-density QCD calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Characterization of the high-pressure and high-temperature phase diagram and equation of state of chromium

The high-pressure and high-temperature phase diagram of chromium has been investigated both experimentally (in situ), using a laser-heated diamond-anvil cell technique coupled with synchrotron powder X-ray diffraction, and theoretically, using ab initio density-functional theory simulations. In the pressure–temperature range covered experimentally (up to 90 GPa and 4500 K, respectively) only the solid body-centred-cubic and liquid phases of chromium have been observed. Experiments and computer calculations give melting curves in agreement with each other that can both be described by the Simon–Glatzel equation $T_{m}(P) = 2136K (1 + P/25.9)^{0.41}$ In addition, a quasi-hydrostatic equation of state at ambient temperature has been experimentally characterized up to 131 GPa and compared with the present simulations. Both methods give very similar third-order Birch–Murnaghan equations of state with bulk moduli of 182–185 GPa and respective pressure derivatives of 4.74–5.15. According to the present calculations, the obtained melting curve and equation of state are valid up to at least 815 GPa, at which pressure the melting temperature is 9310 K. Finally, from the obtained results, it was possible to determine a thermal equation of state of chromium valid up to 65 GPa and 2100 K.

36 MATERIALS SCIENCE↗
DOE OSTI2022

High-Fidelity Simulations of Supercritical CO2 Based Oxy-Combustion with Non-Ideal Equation of State

The supercritical carbon dioxide (sCO2) Allam-Fetvedt cycle employs high-temperature oxy-combustion using sCO2 as the working fluid, leading to a unique and challenging environment for materials. In this cycle, pressurized gaseous fuel is combusted in the presence of a hot oxidant flow containing a mixture of CO2 and oxygen and a hot CO2 diluent recycle stream at approximately 300 bar under lean combustion conditions. We present high-fidelity reacting simulations of this oxy-combustor environment and compare the results when performing simulations with ideal and non-ideal equations of state. By doing so, we identify if the combustor behavior at the regime of interest is sensitive enough to the equation of state to justify the added computational cost incurred with a non-ideal equation of state.

equation of state↗
DOE OSTI2023

Equation of State and Energy Loss of Hot and Dense Quark-Gluon matter from Holographic Black Holes

By using gravity/gauge correspondence, we construct a holographic model, constrained to mimic the lattice QCD equation of state at zero density, to investigate the temperature and baryon chemical potential dependence of the equation of state. We also obtained the energy loss of light and heavy partons within the hot and dense plasma represented by the heavy quark drag force, Langevin diffusion coefficients and jet quenching parameter at the critical point and across the first-order transition line predicted by the model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Dynamical ejecta from binary neutron star mergers: Impact of a small residual eccentricity and of the equation of state implementation

Predicting the properties of the matter ejected during and after a neutron star merger is crucial to our ability to use electromagnetic observations of these mergers to constrain the masses of the neutron stars, the equation of state of dense matter, and the role of neutron star mergers in the enrichment of the Universe in heavy elements. Furthermore, our ability to reliably provide such predictions is however limited by a broad range of factors, including the finite resolution of numerical simulations, their treatment of magnetic fields, neutrinos, and neutrino-matter interactions, and the approximate modeling of the equation of state of dense matter. In this manuscript, we study specifically the role that a small residual eccentricity and different implementations of the same equation of state have on the matter ejected during the merger of a 1.3M ⊙ –1.4M ⊙ binary neutron star system. We find that a residual eccentricity e ~ 0.01, as measured ~ 4–6 orbits before merger, causes O(25%–30%) changes in the amount of ejected mass, mainly due to changes in the amount of matter ejected as a result of core bounces during merger. We note that O(1%) residual eccentricities have regularly been used in binary neutron star merger simulations as proxy for circular binaries, potentially creating an additional source of error in predictions for the mass of the dynamical ejecta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Verification and validation of detonation-shock-dynamics relations for explosives described by general equation of state and chemical reaction models

Detonation shock dynamics is a powerful method to model the behaviour of High Explosives (HE). However in order to use this method, the underlying relationship between the local radius of curvature and the detonation speed must be known. Previous work has developed methods to calculate this effect using simple, single-step Arrhenius and polytropic gas, models for the chemical reaction and the equation of state, respectively. In recent years, more complex models for both reaction rates and equations of state have been developed which show better agreement with experimental data than these simple models, especially when considering condensed phase explosives.. This work presents the governing equations for solving these problems in a way that is generalised to use arbitrary equations of state as well as reaction models which may have more than a single step and multiple product species. This implementation is verified against exact solutions, demonstrating that the equations were implemented properly. The verified algorithm is then validated against experimental data and high fidelity simulations, showing that it is able to make accurate predictions in a regime where the underlying assumptions of the governing equations are valid. Importantly, this approach has many applications: from creating equivalent detonation shock dynamics models for existing reactive burn calibrations for HE; to developing new functional forms and calibrations of reactive burn models for condensed phase high explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Sensitivity of Au + Au collisions to the symmetric nuclear matter equation of state at 2–5 nuclear saturation densities

We demonstrate that proton and pion flow measurements in heavy-ion collisions at incident energies ranging from 1 to 20 GeV per nucleon in the fixed target frame can be used for an accurate determination of the symmetric nuclear matter equation of state at baryon densities equal 2–4 times nuclear saturation density n 0 . We simulate Au + Au collisions at these energies using a hadronic transport model with an adjustable vector mean-field potential dependent on baryon density n B . Here, we show that the mean field can be parametrized to reproduce a given density dependence of the speed of sound at zero temperature $c$$^{2}_{s}$ (n B , T = 0), which we vary independently in multiple density intervals to probe the differential sensitivity of heavy-ion observables to the equation of state at these specific densities. Recent flow data from the STAR experiment at the center-of-mass energies √ s NN = {3.0, 4.5} GeV can be described by our model, and a Bayesian analysis of these data indicates a hard equation of state at n B ϵ (2, 3)n 0 and a possible phase transition at n B ϵ (3, 4)n 0 . More data at √ s NN = 2–5 GeV, as well as a more thorough analysis of the model systematic uncertainties will be necessary for a more precise conclusion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

The extended Vinet analytical equations of state

When testing new materials models, it is often not possible to use tabulated Equations of States (EOS) since the model might only be available in a smaller specialized research code without capability to read in tables. In such cases a versatile and easy to implement analytical EOS is needed. In this report I derive, give, and discuss all formulas necessary for implementing the thermodynamically complete extended Vinet EOS 3 into codes. While similar to a Mie-Grüneisen (MG) EOS, this Vinet EOS is based on an isotherm and substantially easier to correctly implement than a MG EOS. In the extended Vinet the isotherm’s density dependence is given as a power series in density to accommodate for higher density behavior which normally requires the Hugoniot based MG.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Perturbative QCD and the neutron star equation of state

Here, we construct a physics-agnostic approach to the neutron star (NS) equation of state (EoS) based on a sound speed model, which connects both low-density information from nuclear theory and high-density constraints from perturbative quantum chromodynamics (pQCD). Using this approach, we study the impact of pQCD calculations on NS EoS that have been constrained by astrophysical observations. We find that pQCD affects the EoS mainly beyond the densities realized in NS. Furthermore, we observe an interesting interplay between pQCD and astrophysical constraints, with pQCD preferring softer EoS for the heaviest NS while recent NICER observations suggest the EoS to be stiffer. We explore the sensitivity of our findings to pQCD uncertainties and study the constraining power of pQCD if future observations of heavy NS were to suggest radii larger than 13 km.

79 ASTRONOMY AND ASTROPHYSICS↗