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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.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Samarium: from a distorted-fcc phase to melting under dynamic compression using in-situ x-ray diffraction

Abstract Lattice and electronic structure interactions for f -electrons are fundamental challenges for lanthanide equation of state development. Difficulties in first-principles calculations, such as density functional theory (DFT), emphasize the need for well-characterized experimental data. Here, we measure in-situ x-ray diffraction of shocked samarium (Sm) and temperature along the Hugoniot for the first time, providing direct evidence for phase transitions. We report direct evidence of a distorted fcc (dfcc) phase at 23 GPa. Shocked samarium melts from the dfcc phase starting at 33 GPa (1333 K), with complete melt at 40 GPa (1468 K). Previous work indicated shock melt at 27 GPa (1200 K), underscoring the significance of x-ray measurements for detecting phase transitions. Interestingly, our observed melting is in sharp contrast with the melting reported by a diamond anvil cell study. These experimental data can tightly constrain first principles calculations and serve as key touchstones for equation of state modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Equation of state of boron carbide B 4 ⁢C

We present the results of recent experiments conducted on the Sandia Z machine and a new tabular equation of state for B 4 ⁢C. The equation of state was calibrated to a combination of density functional calculations reported here and fits to preexisting data. It was constructed partly to recover the effects of a shock-driven, polymorphic phase transition of unknown character beginning at particle velocities of just under 3 km/s (shock pressures of 95 GPa). Some of the Z experiments included sound speeds determined by the overtaking rarefaction method, from which we calculate the Grüneisen parameter and compare with previous experiments conducted at the OMEGA laser [Fratanduono et al ., Phys. Rev. B 94 , 184107 (2016)], our own first principles calculations, and another recent tabular equation of state [Zhang et al ., Phys. Rev. E 102 , 053203 (2020)]. We also compare our results with previous static compression, thermophysical, and melt studies, finding mixed consistency. We predict the onset and completion of shock melting at 225 and 265 GPa, respectively, and predict a melt curve that is largely flat to pressures of several hundred GPa.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Multipulse precession of spinning spacecraft with flexible appendages

A multipulse precession scheme for spinners with large flexible appendages is described. By choosing the prescribed time delay between pulses as integer (or half integer) multiples of the several incommensurate modal periods it is possible to leave both central spinner and appendages in a final state of negligible nutation. Computer simulations illustrate the several schemes. The results indicate that the proposed method is relatively insensitive to parameter variations such as thruster and inertia uncertainties. Complete equations are presented, including a closed form solution for an important special case: the appendage plane contains the central body mass center.

Vogel, E.↗
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↗
NASA NTRS1983

Transient responses of phosphoric acid fuel cell power plant system

An analytical and computerized study of the steady state and transient response of a phosphoric acid fuel cell (PAFC) system was completed. Parametric studies and sensitivity analyses of the PAFC system's operation were accomplished. Four non-linear dynamic models of the fuel cell stack, reformer, shift converters, and heat exchangers were developed based on nonhomogeneous non-linear partial differential equations, which include the material, component, energy balance, and electrochemical kinetic features. Due to a lack of experimental data for the dynamic response of the components only the steady state results were compared with data from other sources, indicating reasonably good agreement. A steady state simulation of the entire system was developed using, nonlinear ordinary differential equations. The finite difference method and trial-and-error procedures were used to obtain a solution. Using the model, a PAFC system, that was developed under NASA Grant, NCC3-17, was improved through the optimization of the heat exchanger network. Three types of cooling configurations for cell plates were evaluated to obtain the best current density and temperature distributions. The steady state solutions were used as the initial conditions in the dynamic model. The transient response of a simplified PAFC system, which included all of the major components, subjected to a load change was obtained. Due to the length of the computation time for the transient response calculations, analysis on a real-time computer was not possible. A simulation of the real-time calculations was developed on a batch type computer. The transient response characteristics are needed for the optimization of the design and control of the whole PAFC system. All of the models, procedures and simulations were programmed in Fortran and run on IBM 370 computers at Cleveland State University and the NASA Lewis Research Center.

Lu, Cheng-Yi↗
DOE OSTI2025

DESI2024: Dark Energy Spectroscopic Instrument (DESI) survey, presentation of Year 1 results

The series of papers included in this special issue represent the first cosmological measurements from the Dark Energy Spectroscopic Instrument (DESI). These papers present the validation of the DESI clustering catalogs, the methodology for the cosmology measurements, and the full cosmology implications. These measurements were derived from a catalog of approximately 6.4 million extragalactic sources in a redshift range of 0.1 < z < 4.2. Owing to advances in fiber positioner technology and to a larger telescope, this sample was acquired in only one year of observation, yet is more than double the size of the galaxy and quasar samples from the first four phases of the Sloan Digital Sky Survey (SDSS) that spanned 20 years. With these new galaxy and quasar catalogs, the DESI collaboration completed percent-level constraints on the cosmic expansion history and the growth of structure. In turn, these new measurements provided a new platform from which to test the equation of state of dark energy, the summed mass of the three neutrino mass eigenstates, global curvature, and General Relativity. By surpassing the precision of the previous generation spectroscopic survey, the results in this special issue mark the transition in the field of cosmology to Stage-IV dark energy science.

baryon acoustic oscillations↗
NASA NTRS1981

Parameter estimation of large flexible aerospace structures with application to the control of the Maypole Deployable Reflector

Systems such as the Maypole deployable reflector have a distributed parameter nature. The flexible column and hoop structure and the circular antenna of 30-100 meter diameter which it supports are described by partial, rather than ordinary, differential equations. Progress completed in reduced order modelling andd controller design and digital parameter estimation and control is summarized. Topics covered include depolyment and on-orbit operation; quasi-static (steady state) operation; dynamic distributed parameter system; autoregressive moving average identification; frequency domain procedures; direct or implicit active control; adaptive observers; parameter estimation using a linear reinforcement learning factor; feedback control; and reduced order modeling for nonlinear systems.

Balas, M. J.↗
DOE OSTI2025

Precise measurement of nuclear interaction cross sections towards neutron-skin determination with R 3 B

The R 3 B (Reactions with Relativistic Radioactive Beams) experiment as a major instrument of the NUSTAR collaboration for the research facility FAIR in Darmstadt is designed for kinematically complete studies of reactions with high-energy radioactive beams. Part of the broad physics program of R 3 B is to constrain the asymmetry term in the nuclear equation-of-state and hence improve the description of highly asymmetric nuclear matter (e.g., in neutron stars). For a precise determination of the neutron-skin thickness – an observable which is directly correlated with the symmetry energy in theoretical calculations – by measuring absolute fragmentation cross sections, it is essential to quantify the uncertainty and challenge the reaction model under stable conditions. During the successful FAIR Phase-0 campaign of R 3 B, we precisely measured the energy dependence of total interaction cross sections in 12 C + 12 C collisions, for a direct comparison with calculations based on the eikonal reaction theory.

Ponnath, L. (ORCID:0000000286742624)↗
NASA NTRS1975

On the passage of radiation through inhomogeneous, moving media. XII - Polarized waves in a plane, sheared medium

Using the complete set of Maxwell equations, the ray paths and Stokes parameters of a polarized wave are followed which passes through a slab of differentially shearing material of variable refractive index. The polarization state of the signal leaving the top of the slab is related to the polarization state of the initial wave. In general, the two are not the same. These calculations were made to illustrate the point that the polarization properties of observed pulsar signals may be very different from those of the emitted signals due to propagation effects in the differentially shearing magnetospheres that most pulsars are believed to possess. While it is recognized that the precise amount of polarization variations is model dependent, the calculations show that even for simple situations a noticeable polarization variation occurs. Accordingly, the calculations reported here are an educative device: they show that it is, perhaps, unwise to assume that the observed polarization properties of pulsar signals are the same as the emitted signals.

Lee, M. A.↗
NASA NTRS1980

Reduced-order Kalman filtering with incomplete observability

Kalman filtering is considered with reference to linear stochastic dynamic systems without complete observability. It is shown that the canonical decomposition theorem can be extended to the stochastic case and the matrix Riccati equation of the Kalman filter is order-reducible if some states are not observable. The inclusion of unobservable states in Kalman filtering makes the unobservable states 'asymptotically' observable in the filter if these unobservable states are dynamically connected to observable states and asymptotically stable. The reduced-order Kalman filter saves computation time when compared to the conventional Kalman filter.

Yonezawa, K.↗
NASA NTRS1995

Robust integration schemes for generalized viscoplasticity with internal-state variables. Part 1: Theoretical developments and applications

This two-part report is concerned with the development of a general framework for the implicit time-stepping integrators for the flow and evolution equations in generalized viscoplastic models. The primary goal is to present a complete theoretical formulation, and to address in detail the algorithmic and numerical analysis aspects involved in its finite element implementation, as well as to critically assess the numerical performance of the developed schemes in a comprehensive set of test cases. On the theoretical side, the general framework is developed on the basis of the unconditionally-stable, backward-Euler difference scheme as a starting point. Its mathematical structure is of sufficient generality to allow a unified treatment of different classes of viscoplastic models with internal variables. In particular, two specific models of this type, which are representative of the present start-of-art in metal viscoplasticity, are considered in applications reported here; i.e., fully associative (GVIPS) and non-associative (NAV) models. The matrix forms developed for both these models are directly applicable for both initially isotropic and anisotropic materials, in general (three-dimensional) situations as well as subspace applications (i.e., plane stress/strain, axisymmetric, generalized plane stress in shells). On the computational side, issues related to efficiency and robustness are emphasized in developing the (local) interative algorithm. In particular, closed-form expressions for residual vectors and (consistent) material tangent stiffness arrays are given explicitly for both GVIPS and NAV models, with their maximum sizes 'optimized' to depend only on the number of independent stress components (but independent of the number of viscoplastic internal state parameters). Significant robustness of the local iterative solution is provided by complementing the basic Newton-Raphson scheme with a line-search strategy for convergence. In the present first part of the report, we focus on the theoretical developments, and discussions of the results of numerical-performance studies using the integration schemes for GVIPS and NAV models.

Saleeb, Atef F.↗
NASA NTRS1995

Robust integration schemes for generalized viscoplasticity with internal-state variables. Part 2: Algorithmic developments and implementation

This two-part report is concerned with the development of a general framework for the implicit time-stepping integrators for the flow and evolution equations in generalized viscoplastic models. The primary goal is to present a complete theoretical formulation, and to address in detail the algorithmic and numerical analysis aspects involved in its finite element implementation, as well as to critically assess the numerical performance of the developed schemes in a comprehensive set of test cases. On the theoretical side, the general framework is developed on the basis of the unconditionally-stable, backward-Euler difference scheme as a starting point. Its mathematical structure is of sufficient generality to allow a unified treatment of different classes of viscoplastic models with internal variables. In particular, two specific models of this type, which are representative of the present start-of-art in metal viscoplasticity, are considered in applications reported here; i.e., fully associative (GVIPS) and non-associative (NAV) models. The matrix forms developed for both these models are directly applicable for both initially isotropic and anisotropic materials, in general (three-dimensional) situations as well as subspace applications (i.e., plane stress/strain, axisymmetric, generalized plane stress in shells). On the computational side, issues related to efficiency and robustness are emphasized in developing the (local) interative algorithm. In particular, closed-form expressions for residual vectors and (consistent) material tangent stiffness arrays are given explicitly for both GVIPS and NAV models, with their maximum sizes 'optimized' to depend only on the number of independent stress components (but independent of the number of viscoplastic internal state parameters). Significant robustness of the local iterative solution is provided by complementing the basic Newton-Raphson scheme with a line-search strategy for convergence. In the present second part of the report, we focus on the specific details of the numerical schemes, and associated computer algorithms, for the finite-element implementation of GVIPS and NAV models.

Li, Wei↗
NASA NTRS1990

PTA en route noise measurements

A long-range advanced turboprop en route noise database was obtained with weather, tracking, and onboard measurements. In-flight noise directivity measurements were made. Data repeatability within a test day was excellent. Day-to-day variability existed and is not completely understood and therefore not predicted. Comparison of a two-dimensional ray-tracing propagation model with the ensemble average ground-measured data was good; however, as stated above, the day-to-day data variability was not completely predicted. Future research will include looking at alternative propagation models. Three-dimensional ray tracing, fast field program, and the parabolic equation are possibilities. The effect of turbulence needs to be accessed.

Willshire, William L., Jr.↗
NASA NTRS1993

Application and development of the Schwinger multichannel scattering theory and the partial differential equation theory of electron-molecule scattering

One version of the multichannel theory for electron-target scattering based on the Schwinger variational principle, the SMC method, requires the introduction of a projection parameter. The role of the projection parameter a is investigated and it is shown that the principal-value operator in the SMC equation is Hermitian regardless of the value of a as long as it is real and nonzero. In a basis that is properly orthonormalizable, the matrix representation of this operator is also Hermitian. The use of such basis is consistent with the Schwinger variational principle because the Lippmann-Schwinger equation automatically builds in the correct boundary conditions. Otherwise, an auxiliary condition needs to be introduced, and Takatsuka and McKoy's original value of a is one of the three possible ways to achieve Hermiticity. In all cases but one, a can be uncoupled from the Hermiticity condition and becomes a free parameter. An equation for a based on the variational stability of the scattering amplitude is derived; its solution has an interesting property that the scattering amplitude from a converged SMC calculation is independent of the choice of a even though the SMC operator itself is a-dependent. This property provides a sensitive test of the convergence of the calculation. For a static-exchange calculation, the convergence requirement only depends on the completeness of the one-electron basis, but for a general multichannel case, the a-invariance in the scattering amplitude requires both the one-electron basis and the N plus 1-electron basis to be complete. The role of a in the SMC equation and the convergence property are illustrated using two examples: e-CO elastic scattering in the static-exchange approximation, and a two-state treatment of the e-H2 Chi(sup 1)Sigma(sub g)(+) yields b(sup 3)Sigma(sub u)(+) excitation.

Weatherford, Charles A.↗
DOE OSTI2023

Polyimide dynamically compressed to decomposition pressures: Two-wave structures captured by velocimetry and modeling

We performed a series of six plate impact experiments on polyimide and modeled them using new reactant and products equations of state combined with an Arrhenius rate model. The first experiment was diagnosed with embedded electromagnetic velocity gauges through which we directly observed attenuation of the lead shock to an approximately constant state over a propagation distance of roughly 4 mm. Simulated gauge profiles were in excellent qualitative agreement with experiment and suggested a sluggish chemical reaction that did not proceed to completion. The remaining five experiments were conducted in a transmission geometry and diagnosed velocimetrically at the sample/window interface. All five of these yielded profiles with a sharp shock followed by a more gradual approach to maximum interface velocity that was “rounded” to varying degree. These profiles proved difficult to interpret unambiguously due to the convolution of the reactive wave upon first shock with reflection of the lead wave and reshock or release by the window. Comparison with thermochemical calculations strongly suggests that the point of maximum interface velocity corresponds to the equilibrium reshock or release locus. We discuss the implications of this point for the practice of impedance matching based on the reflected Hugoniot of reactive materials such as polymers. The reactant and thermochemical products equations of state are developmental SESAME tables 97710 and 97720, respectively.

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

A promising intersection of excited‐state‐specific methods from quantum chemistry and quantum Monte Carlo

Abstract We present a discussion of recent progress in excited‐state‐specific quantum chemistry and quantum Monte Carlo alongside a demonstration of how a combination of methods from these two fields can offer reliably accurate excited state predictions across singly excited, doubly excited, and charge transfer states. Both of these fields have seen important advances supporting excited state simulation in recent years, including the introduction of more effective excited‐state‐specific optimization methods, improved handling of complicated wave function forms, and ways of explicitly balancing the quality of wave functions for ground and excited states. To emphasize the promise that exists at this intersection, we provide demonstrations using a combination of excited‐state‐specific complete active space self‐consistent field theory, selected configuration interaction, and state‐specific variance minimization. These demonstrations show that combining excited‐state‐specific quantum chemistry and variational Monte Carlo can be more reliably accurate than either equation of motion coupled cluster theory or multi‐reference perturbation theory, and that it can offer new clarity in cases where existing high‐level methods do not agree. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Software > Quantum Chemistry

Otis, Leon↗
NASA NTRS2018

OSIRIS-REx Encounters Bennu: Initial Assessment from the Approach Phase

The OSIRIS-REx spacecraft launched on September 8, 2016, on a seven-year journey to return samples from asteroid (101955) Bennu. This presentation summarizes the scientific results from the Approach and Preliminary Survey phases. Bennu observations are set to begin on August 17, 2018,when the asteroid is bright enough for detection by the PolyCam. PolyCam and MapCam collect data to survey the asteroid environment for any hazards and characterize the asteroid point-source photometric properties. Resolved images acquired during final approach, starting in late October 2018, allow the creation of a shape model using stereophotoclinometry (SPC), needed by both the navigation team and science planners. The OVIRS and OTES spectrometers characterize the point- source spectral properties over a full rotation period, providing a first look at any features and thermophysical properties. TAGSAM is released from the launch container and deployed into the sampling configuration then returned to the stow position.Preliminary Survey follows the Approach Phase in early December 2018. This phase consists of a series of hyperbolic trajectories that cross over the North and South poles and the equator of Bennu at a close-approach distance of 7 km. Images from these Preliminary Survey passes provide data to complete the 75-cm resolution SPC global shape model and solve for the rotation state. Once the shape model is complete, the asteroid coordinate system is defined for co-registration of all data products. These higher-resolution images also constrain the photometric properties and allow for an initial assessment of the geology. In Preliminary Survey the team also obtains the first OLA data, providing a measure of the surface topography. OVIRS and OTES collect data as "ride-along" instruments, with the spacecraft pointing driven by imaging constraints. These data provide a first look at the spectral variation across the surface of Bennu. Radio science measurements, combined with altimetry and imagery, determine Bennu's mass, a prerequisite to placing the spacecraft into orbit in late December 2018. Together, data from the Approach and Preliminary Survey phases set the stage for the extensive mapping planned for 2019. These dates are the baseline plan. Any contingency or unexpected discovery may change this mission profile.

Lauretta, Dante S.↗
DOE OSTI2021

Automated Detection of Instability-Inducing Channel Geometry Transitions in Saint-Venant Simulation of Large-Scale River Networks

A new sweep-search algorithm (SSA) is developed and tested to identify the channel geometry transitions responsible for numerical convergence failure in a Saint-Venant equation (SVE) simulation of a large-scale open-channel network. Numerical instabilities are known to occur at “sharp” transitions in discrete geometry, but the identification of problem locations has been a matter of modeler’s art and a roadblock to implementing large-scale SVE simulations. The new method implements techniques from graph theory applied to a steady-state 1D shallow-water equation solver to recursively examine the numerical stability of each flowpath through the channel network. The SSA is validated with a short river reach and tested by the simulation of ten complete river systems of the Texas–Gulf Coast region by using the extreme hydrological conditions recorded during hurricane Harvey. The SSA successfully identified the problematic channel sections in all tested river systems. Subsequent modification of the problem sections allowed stable solution by an unsteady SVE numerical solver. The new SSA approach permits automated and consistent identification of problem channel geometry in large open-channel network data sets, which is necessary to effectively apply the fully dynamic Saint-Venant equations to large-scale river networks or for city-wide stormwater networks.

54 ENVIRONMENTAL SCIENCES↗