Search NASA⌕ Search

SEARCH · Search NASA

Results for “Complete equation 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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records

Complete Equations of State for Cyclotetramethylene Tetranitramine

Complete equations of state for the volumetric deformation of the β-polymorph of cyclotetramethylene tetranitramine (β-HMX) have been derived from its Helmholtz free energy. Dispersion-corrected density functional theory calculations were used to compute the dependence of the frequencies of the vibrational normal modes on specific volume. Here, the normal mode frequencies were used directly to generate both a tabular equation of state and an approximate model where the sum over normal mode frequencies is replaced by a set of five Debye models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An analytic and complete equation of state for condensed phase materials

Analytic equations of state (EOS) are intended to reproduce theoretical and experimental data in a single phase portion of the thermodynamic space. We devise a complete and thermodynamically consistent model with four distinct features: (1) a reference isotherm that remains thermodynamically stable, (2) a flexible specific heat model based on a fourth-order rational polynomial, (3) a Grüneisen parameter that depends on specific volume and temperature, and (4) pressure and internal energy functions that can be inverted analytically in temperature. The model aims to improve the accuracy of existing equations of state while remaining computationally efficient. To demonstrate its features, we include calibrations for single-crystal pentaerythritol tetranitrate (PETN), liquid nitromethane (NM), and hexagonal close-packed beryllium (Be) metal. The parameter optimization uses the specific heat capacity, Grüneisen parameter, and static compression curves obtained from density functional theory for the crystalline solids and molecular dynamics simulations for liquid NM. We also present a velocity autocorrelation function that yields accurate phonon densities of states for the EOS calibration from the molecular dynamics trajectories. Each of the three calibrations is constrained to enforce the ambient state from experimental measurements and validated against experimental Hugoniot data from multiple sources. We also include one-dimensional hydrodynamic simulations of the isentropic compression experiments for beryllium conducted at the Z facility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Inelastic equation of state for solids

In this study, a complete inelastic equation of state (IEOS) for solids is developed based on a superposition of thermodynamic energy potentials. The IEOS allows for a tensorial stress state by including an isochoric hyperelastic Helmholtz potential in addition to the zero-kelvin isotherm and lattice vibration energy contributions. Inelasticity is introduced through the nonlinear equations of finite strain plasticity which utilize the temperature dependent Johnson–Cook yield model. Material failure is incorporated into the model by a coupling of the damage history variable to the energy potentials. The numerical evaluation of the IEOS requires a nonlinear solution of stress, temperature and history variables associated with elastic trial states for stress and temperature. The model is implemented into the ALEGRA shock and multi-physics code and the applications presented include single element deformation paths, the Taylor anvil problem and an energetically driven thermo-mechanical problem.

42 ENGINEERING↗

Empirical correlations between the function of entropy ( Z S ) and net artificial viscous work in a shock physics hydrocode

Entropy is a state variable that may be obtained from any thermodynamically complete equation of state (EOS). However, hydrocode calculations that output the entropy often contain numerical errors; this is not because of the EOS, but rather the solution techniques that are used in hydrocodes (especially Eulerian) such as convection, remapping, and artificial viscosity. Here, in this work, empirical correlations are investigated to reduce the errors in entropy without altering the solution techniques for the conservation of mass, momentum, and energy. Specifically, these correlations are developed for the function of entropy Z S , and they depend upon the net artificial viscous work, as determined via Sandia National Laboratories’ shock physics hydrocode CTH. These results are a continuation of a prior effort to implement the entropy-based CREST reactive burn model in CTH, and they are presented here to stimulate further interest from the shock physics community. Future work is planned to study higher-dimensional shock waves, shock wave interactions, and possible ties between the empirical correlations and a physical law.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Principle of Energetic Consistency: Application to the Shallow-Water Equations

If the complete state of the earth's atmosphere (e.g., pressure, temperature, winds and humidity, everywhere throughout the atmosphere) were known at any particular initial time, then solving the equations that govern the dynamical behavior of the atmosphere would give the complete state at all subsequent times. Part of the difficulty of weather prediction is that the governing equations can only be solved approximately, which is what weather prediction models do. But weather forecasts would still be far from perfect even if the equations could be solved exactly, because the atmospheric state is not and cannot be known completely at any initial forecast time. Rather, the initial state for a weather forecast can only be estimated from incomplete observations taken near the initial time, through a process known as data assimilation. Weather prediction models carry out their computations on a grid of points covering the earth's atmosphere. The formulation of these models is guided by a mathematical convergence theory which guarantees that, given the exact initial state, the model solution approaches the exact solution of the governing equations as the computational grid is made more fine. For the data assimilation process, however, there does not yet exist a convergence theory. This book chapter represents an effort to begin establishing a convergence theory for data assimilation methods. The main result, which is called the principle of energetic consistency, provides a necessary condition that a convergent method must satisfy. Current methods violate this principle, as shown in earlier work of the author, and therefore are not convergent. The principle is illustrated by showing how to apply it as a simple test of convergence for proposed methods.

Cohn, Stephen E.↗

Airfoil Design Using a Coupled Euler and Integral Boundary Layer Method with Adjoint Based Sensitivities

The objective of this paper is to present a control theory approach for the design of airfoils in the presence of viscous compressible flows. A coupled system of the integral boundary layer and the Euler equations is solved to provide rapid flow simulations. An adjunct approach consistent with the complete coupled state equations is employed to obtain the sensitivities needed to drive a numerical optimization algorithm. Design to target pressure distribution is demonstrated on an RAE 2822 airfoil at transonic speed.

Edwards, S.↗

Continuum shock mixture models for Ni+Al multilayers: Individual layers and bulk equations of state

Continuum shock mixture models are reviewed and applied to determine the equations of state for five different compositions of Ni x Al y ⁠, as well as bulk Ni+Al reactive multilayers, by combining the fundamental property data for elemental nickel and aluminum. From the literature, we down-select and evaluate two analytical models for the mixture Hugoniot, i.e., the well-known method of kinetic energy averaging (KEA) and a recent model proposed by Jordan and Baer [J. Appl. Phys. 111, 083516 (2012)]. Fundamentally, the former method assumes pressure equilibrium, whereas the latter assumes a common particle velocity and mixture sound speed from compressible two-phase cavitating flows. Additionally, we construct thermodynamically complete equations of state by fitting Einstein oscillator series models for the specific heat at constant volume. Finally, the solid solution approximation is invoked for intermetallic compositions, which are not strictly physical mixtures. Overall, the KEA model provides a better fit to the available Ni x Al y and Ni+Al multilayer shock compression data; however, there are combinations of material properties where the performance of these two models is thought to be reversed. Moreover, the results of this work include the first analytical solution of Jordan–Baer that does not require numerical root finding, as well as proposed modifications to the Einstein oscillator series to incorporate some effects of local pressure–temperature equilibrium and reaction–diffusion. Future work is planned that will use these equations of state in mesoscale simulations to study shock-induced reaction in Ni+Al multilayers, and the intended application is illustrated with a brief 2D hydrocode example.

36 MATERIALS SCIENCE↗

Comparing temperature convergence of shocked thin films of tin and iron to a bulk temperature source

An outstanding challenge in developing a complete equation of state for materials at elevated pressure and temperature is a robust method of determining the bulk temperature state under dynamic conditions. In metals, the determination of bulk temperature states by optical pyrometry is complicated by the small optical depth and thermal conduction effects. These effects lead to observed temperatures differing by 20% or more from the bulk temperature state. In this work, we show the presence of thermal conduction effects in temperature measurements of tin and iron coatings during dynamic compression experiments. We demonstrate that tin, in contrast to iron, coatings can fail to converge to a bulk temperature source over the time scale of the experiment, requiring the experimenter to modify assumptions, design, or analysis. This work bounds thermal transport at shocked conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Continuum shock mixture models for Ni+Al multilayers: Inert mesoscale simulations

Mesoscale modeling of shock waves in Ni+Al multilayers poses significant challenges that are due, in part, to shock-induced chemical reactions. Current modeling approaches utilize reactive molecular dynamics (MD), but they are limited to resolving domains of only a few hundred nanometers. In contrast, actual multilayer superlattices can be tens of micrometers thick, and they exhibit non-ideal (i.e., wavy) interfaces. The second part of our research builds upon previous work developing physically based, thermodynamically complete equations of state for various Ni and Al intermetallic compositions. Here, we introduce a novel workflow for high-fidelity mesoscale simulations of Ni+Al multilayers using a continuum hydrocode. By increasing the simulation domain size beyond MD limitations (e.g., 2 × 6 μm 2 ) and incorporating explicit interfacial roughness, we investigate the shock response of Ni+Al multilayers at previously unexplored scales. Our experimental design encompasses nine multilayer geometries with varying roughness amplitudes and tilt angles (θ = 15°, 30°, and 45°), alongside 19 flyer impact velocities ranging from 0.3 to 3.0 km/s, resulting in a total of 171 high-fidelity simulations. The bulk shock state from inert 2D mesoscale simulations aligns with the law of mixtures, while temperature and pressure fluctuations strongly correlate with multilayer geometry types. A new metric dubbed the “hot spot probability integral” shows a greater dependence on a tilt angle than interfacial roughness.

Kittell, David E. [Sandia National Laboratories (S↗

A finite-strain rate- and pressure-dependent constitutive framework for analyzing shock compression behavior of cemented tungsten carbides to 100 GPa

In the present study a thermodynamically-consistent finite-strain rate-and-pressure-dependent constitutive framework is implemented to analyze the shock-compression behavior of cemented tungsten carbides to 100 GPa. Central to this framework is the use of logarithmic strain with a set of invariant basis that allow the Cauchy stress tensor to be expressed as a sum of three response terms that are mutually orthogonal, thus permitting a complete separation of the deviatoric and volumetric (pressure) response. An overstress viscoplasticity model that includes strain and strain rate hardening along with thermal softening is used to represent the deviatoric response, while a complete Mie-Grüneisen equation of state (EoS) is used to obtain the pressure response. Using this formulation, the shock-induced compression behavior of cemented tungsten carbide - obtained from planar plate impact experiments using a 30 mm powder gun to peak stresses of up to ~100 GPa - is analyzed to better understand the structure of the measured shock wave profiles and the associated in-material shock quantities. Of particular interest is the evolution of material inelasticity and strength, and temperature in the tungsten carbide samples during the shock compression process.

Cemented tungsten carbide↗

Impact jetting of water ice, with application to the accretion of icy planetesimals and Pluto

Jetting can occur during oblique impacts of water-ice bodies at relative velocities as low as 500 m/sec, because of the low Hugoniot elastic limit and high compressibility of ice compared to rock. In jetted ice, incipient melting, complete melting, and incipient vaporization occur, upon release to low pressure, at impact velocities of 1.3, 2.0, and 2.7 km/sec, respectively, much less than the 3.4, 4.4, and 5.3 km/sec, required in head-on collisions. Uncertainties in the shock equation-of-state may allow complete melting during jetting of relative velocities as low as 1.2 km/sec. Because jet speeds exceed impact speeds during the accretion of icy bodies greater than a few 100 km in radius, there may be a significant loss of icy material. Thus, jetting during a Charon-forming collision (and not vaporization) may account for Pluto-Charon's relatively large rock/ice ratio, should the C/O ratio of the solar nebula turn out to be too low to sufficiently raise the rock/ice ratio of outer solar nebula condensates by formation of noncondensable CO.

Mckinnon, William B.↗

Deviations from the Isobaric Multiplet Mass Equation due to Threshold States

Recent studies have completed the A=16 isospin quintets for states with J π =0 + and 2 + . The dependence of their masses as a function of isospin projection shows evidence for deviations from quadratic behavior indicating isospin violation beyond the expectation from two-body forces. The deviation is most pronounced for the 2 + states. Predictions from the shell model embedded in the continuum (SMEC) allow us to explain that this isospin violation is associated with a modification of the nuclear structure due to the open-quantum-system nature of the proton-rich members of the quintet. In particular, the 0 + and 2 + states in 16 Ne and the 2 + state in 16 F are threshold resonances located just above a proton-decay threshold where s-wave coupling to the continuum is expected. The measured deviations of these threshold states from the quadratic behavior of the remaining members of the multiplets makes it possible to obtain information on the magnitude and the energy dependence of the continuum-coupling energy correction. Finally, continuum coupling is also indicated for the ground state of 8 C, but this time through p-wave coupling

coulomb energies & analogue states↗

Sound generation by a stenosis in a pipe

This paper presents a computational aeroacoustics study of sound generated by low Mach number flow through a closure (stenosis) in a circular pipe. The time-dependent incompressible flowfield in the pipe is first computed utilizing a vorticity/stream function formulation. The known velocity field is then utilized to determine the incompressible fluctuating pressure in the pipe. This hydrodynamic pressure field is then utilized to compute a hydrodynamic density perturbation to the constant incompressible density through the equation of state. Knowledge of this complete hydrodynamic field is then employed as the source of the resulting sound radiation. This tripartite technique allows separation of the compressible fluctuations from the purely hydrodynamic fluctuations. Results of the analysis are compared with experimental measurements of sound radiated by such a flow.

Hardin, J. C.↗

Momentum transfer in the one-dimensional impact of spaced plates

The two-dimensional hydrocode CSQ III was used to calculate the fraction of momentum transferred from a flyer plate to a target of two spaced plates. The effect of the vaporization phase transition, as calculated with the ANEOS analytical complete three-phase equation of state, was estimated. Application of these results to the protection of spacecraft from meteoroids and orbital debris is discussed.

Abbott, R. D.↗

Development of OPTIMOD - The new Space Shuttle Orbiter/Payload Thermal Integration Model

The development of the Orbiter/Payload Thermal Integration Model (OPTIMOD), a simplified Space Shuttle Orbiter thermal math model to be used for payload thermal integration analysis, is described. The Orbiter lower fuselage math model has been reduced to the minimum level of detail consistent with accuracy requirements. Instead, an 'environment radiation sensor', a simple closed-end cylinder oriented in a fixed position with respect to the Orbiter, is introduced. Equations are presented which relate the cylinder surface heating rates to external fuselage steady-state temperatures. These equations were derived from a regression correlation analysis of steady-state Orbiter thermal solutions for 2372 points on orbit, representing a complete range of vehicle-earth-sun orientations. An exponential equation is developed to relate the steady-state data to time-variant temperatures for the particular transient attitude timeline being simulated. The accuracy of OPTIMOD is shown to be excellent in the payload bay and to compare favorably with previous models in Orbiter elements outside the bay.

Russell, David J.↗

Electromagnetic Waves in Cold Plasmas

A collisionless fluid model of a plasma is presented and solved to first order in the cold, high frequency limit. From this model, a homogeneous system of linear equations is obtained for a harmonic electric field perturbation from which the Appleton-Hartree equation is derived. Moreover, the polarization states of electromagnetic waves in cold, collisionless plasmas are examined. Complete sets of equations governing the reflection and transmission of electromagnetic waves in both non magnetized and magnetized plasmas are obtained. In solving the boundary problem, the Booker quartic is derived and the nature of its roots discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamic simulation of coronal mass ejections

A model is developed for the formation and propagation through the lower corona of the loop-like coronal transients in which mass is ejected from near the solar surface to the outer corona. It is assumed that the initial state for the transient is a coronal streamer. The initial state for the streamer is a polytropic, hydrodynamic solution to the steady-state radial equation of motion coupled with a force-free dipole magnetic field. The numerical solution of the complete time-dependent equations then gradually approaches a stationary coronal streamer configuration. The streamer configuration becomes the initial state for the coronal transient. The streamer and transient simulations are performed completely independent of each other. The transient is created by a sudden increase in the pressure at the base of the closed-field region in the streamer configuration. Both coronal streamers and coronal transients are calculated for values of the plasma beta (the ratio of thermal to magnetic pressure) varying from 0.1 to 100.

Steinolfson, R. S.↗

Performance analysis of flexible aircraft with active control

Small perturbation equations of motion of a flexible aircraft with an active control technology (ACT) system were developed to evaluate the stability and performance of the controlled aircraft. The total aircraft system was formulated in state vector format and the system of equations was completed with fully unsteady and low frequency aerodynamics for arbitrary, complex configurations based on a potential aerodynamic method. The ACT system equations were incorporated in the digital computer program FCAP (Flight Control Analysis Program) which can be used for the analysis of complete aircraft configurations, including control system, with either low frequency or fully unsteady aerodynamics. The application of classical performance analyses including frequency response, poles and zeros, mean square response, and time response in FCAP in state vector format was discussed.

Noll, R. B.↗