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Results for “equations of state”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Evolution of the cosmological horizons in a universe with countably infinitely many state equations

This paper is the second of two papers devoted to the study of the evolution of the cosmological horizons (particle and event horizons). Specifically, in this paper we consider a general accelerated universe with countably infinitely many constant state equations, and we obtain simple expressions in terms of their respective recession velocities that generalize the previous results for one and two state equations. We also provide a qualitative study of the values of the horizons and their velocities at the origin of the universe and at the far future, and we prove that these values only depend on one dominant state equation. Finally, we compare both horizons and determine when one is larger than the other.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Uncertainty quantification for high explosive reactant and product equations of state

Equations of state (EOSs) are typically represented as physics-informed models with tunable parameters that are adjusted to replicate calibration data as closely as possible. Uncertainty quantification (UQ) allows for the development of an ensemble of EOS parameters that are consistent with the calibration data instead of a single EOS. In this work, we perform UQ for the reactant and product EOSs for a variety of high explosives (HEs). In doing so, we demonstrate a strategy for dealing with heterogeneous (both experimental and calculated) data. We also use a statistical distance metric to quantify the differences between the various HEs using the UQ results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Neural network surrogate models for equations of state

Equation of state (EOS) data provide necessary information for accurate multiphysics modeling, which is necessary for fields such as inertial confinement fusion. Here, we suggest a neural network surrogate model of energy and entropy and use thermodynamic relationships to derive other necessary thermodynamic EOS quantities. We incorporate phase information into the model by training a phase classifier and using phase-specific regression models, which improves the modal prediction accuracy. Our model predicts energy values to 1% relative error and entropy to 3.5% relative error in a log-transformed space. Although sound speed predictions require further improvement, the derived pressure values are accurate within 10% relative error. Our results suggest that neural network models can effectively model EOS for inertial confinement fusion simulation applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Updated universal relations for tidal deformabilities of neutron stars from phenomenological equations of state

Equation of state (EOS) insensitive relations, so-called universal relations, between the neutron star (NS) compactness, its multipolar tidal deformability coefficients, and between the tidal parameters for binary systems are essential to break degeneracies in gravitational wave data analysis. Here, we validate and recalibrate these universal relations using a large set of almost 2 million phenomenological EOSs that are consistent with current observations. In doing so, we extend universal relations to a larger region of the EOS parameter space, most notably to softer EOSs and larger compactnesses. We show that waveform models that neglect higher-than-leading-order tidal deformations of the NSs accumulate as much as 3.5 radians of dephasing from 20Hz to merger. Further, we also perform a full Bayesian parameter estimation of the GW170817 data, and we compare the NS radius constraints produced using universal relations from the literature and the updated fits we propose here. We find that the new fits yield a NS radius that is smaller by about 500 meters. This difference is less than the statistical uncertainty on the radius at the signal-to-noise-ratio of GW170817, but it is significantly larger than the precision anticipated for next-generation detectors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

The Coupled Adjoint-State Equation in forward and inverse linear elasticity: Incompressible plane stress

A persistent challenge present in inverse or parameter estimation problems with interior data is how to deal with uncertainty in the boundary conditions employed in the forward or state model. In this work we focus on a linear plane stress inverse elasticity problem with measured displacement data where one component of the measured displacement field is known with considerably greater precision than the other. This situation is commonly encountered when the displacement field is measured using ultrasound or optical coherence tomography. We present a novel computational formulation in which no displacement or traction boundary conditions are assumed. The formulation results in coupling the state and adjoint equations, that are typically uncoupled when a well-posed state model is available. Two variants of residual-based stabilization are added. Our approach is applied to a simulated data set and experimental data from an ultrasound phantom.

42 ENGINEERING↗
DOE OSTI2019

A Kriging Surrogate Model for Computing Gas Mixture Equations of State

Accurate simulation of the complex flow following the detonation of an explosive material is a challenging problem. In these flows, the detonation products of the explosive must be treated as a real gas while the surrounding air is treated as an ideal gas. As the detonation process unfolds and the blast wave moves into the surrounding ambient air, the products of detonation expand outward and interact with the air creating a mixture region. In this region, both of the state equations for air and the products must be satisfied. One of the most accurate, yet computationally expensive, methods to handle this problem is an algorithm that iterates between the equations of state until both pressure and temperature reach an equilibrium inside of a computational cell. Since this mixture region moves and grows over time, this algorithm must be performed millions, or even billions, of times in a typical detonation simulation. As such, these calculations can account for a large percentage of the overall solution time. This work aims to use a kriging surrogate model to replace this process. The iterative method solves a nonlinear system of equations created from the gas mixture density, internal energy, and composition using a Broyden iterative solver to obtain an output pressure and temperature. Kriging is used to produce curve fits which interpolate selected pressures and temperatures from this solver from appropriate ranges of the mixture input quantities. Using a finite volume hydrocode, the performance of the model with respect to the iterative solver is demonstrated in the simulation of a pentaerythritol tetranitrate (PETN) charge detonation. The model's computational speed and accuracy are quantified as a function of the choice of sampling points in order to try optimize the combination as well as to show the benefits of this novel approach.

Engineering↗
DOE OSTI2024

Neural network representations of multiphase Equations of State

Abstract Equations of State model relations between thermodynamic variables and are ubiquitous in scientific modelling, appearing in modern day applications ranging from Astrophysics to Climate Science. The three desired properties of a general Equation of State model are adherence to the Laws of Thermodynamics, incorporation of phase transitions, and multiscale accuracy. Analytic models that adhere to all three are hard to develop and cumbersome to work with, often resulting in sacrificing one of these elements for the sake of efficiency. In this work, two deep-learning methods are proposed that provably satisfy the first and second conditions on a large-enough region of thermodynamic variable space. The first is based on learning the generating function (thermodynamic potential) while the second is based on structure-preserving, symplectic neural networks, respectively allowing modifications near or on phase transition regions. They can be used either “from scratch” to learn a full Equation of State, or in conjunction with a pre-existing consistent model, functioning as a modification that better adheres to experimental data. We formulate the theory and provide several computational examples to justify both approaches, highlighting their advantages and shortcomings.

Science & Technology - Other Topics↗
DOE OSTI2017

From Neutron Star Observables to the Equation of State. II. Bayesian Inference of Equation of State Pressures

One of the key goals of observing neutron stars is to infer the equation of state (EoS) of the cold, ultradense matter in their interiors. Here, we present a Bayesian statistical method of inferring the pressures at five fixed densities, from a sample of mock neutron star masses and radii. We show that while five polytropic segments are needed for maximum flexibility in the absence of any prior knowledge of the EoS, regularizers are also necessary to ensure that simple underlying EoS are not over-parameterized. For ideal data with small measurement uncertainties, we show that the pressure at roughly twice the nuclear saturation density, ρ{sub sat}, can be inferred to within 0.3 dex for many realizations of potential sources of uncertainties. The pressures of more complicated EoS with significant phase transitions can also be inferred to within ∼30%. We also find that marginalizing the multi-dimensional parameter space of pressure to infer a mass–radius relation can lead to biases of nearly 1 km in radius, toward larger radii. Using the full, five-dimensional posterior likelihoods avoids this bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

QUANTUM LANGEVIN MOLECULAR DYNAMIC DETERMINATION OF THE SOLAR-INTERIOR EQUATION OF STATE

The equation of state (EOS) of the solar interior is accurately and smoothly determined from ab initio simulations named quantum Langevin molecular dynamics in the pressure range of 58 Mbar {<=}P {<=} 4.6 x 10{sup 5} Mbar at the temperature range of 1 eV {<=}T {<=} 1500 eV. The central pressure is calculated and compared with other models. The effect of heavy elements such as carbon and oxygen on the EOS is also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Cold quarks in medium: An equation of state

We derive a compact, semialgebraic expression for the cold-quark-matter equation of state (EoS) in a covariant model that exhibits coincident deconfinement and chiral symmetry restoring transitions in medium. In doing so we obtain algebraic expressions for the number- and scalar-density distributions in both the confining Nambu and the deconfined Wigner phases and the vacuum-pressure difference between these phases, which defines a bag constant. Our qualitative study illustrates that a confining interaction can materially alter distribution functions from those of a Fermi gas and impact significantly on a system's thermodynamic properties, possibilities that are apparent in the EoS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Uncertain characterization of reservoir fluids due to brittleness of equation of state regression

Equations of state (EoS) play a central role in modeling the phase equilibrium of fluid mixtures. Their parameterization involves fitting a model to experimental data, i.e., solving a nonlinear, non-convex, multivariate optimization problem. The latter requires one to select design variables, domains of definition for each variable, and weights assigned to individual measurements. We demonstrate that subjective choices of an optimization algorithm and an initial guess also impact the regression process. Consequently, EoS predictions are fundamentally uncertain even after the EoS tuning to a limited set of experimental data points. We demonstrate this observation for two hydrocarbon reservoir fluids, in which five properties of the heaviest carbon fraction are treated as design variables. While all the optimization algorithms and initial guesses match experimental data for the gas and liquid properties, the resulting EoS parameterizations lead to dramatically different predictions of the fluid’s thermophysical behavior in the unsampled pressure and temperature regions. In conclusion, we propose the probabilistic treatment of design variables to quantify the predictive uncertainty of the resulting fluid models.

15 GEOTHERMAL ENERGY↗