Engineering Papers⌕ Search

SEARCH · Engineering Papers

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.

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

At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

New Covariant Density Functionals of Nuclear Matter for Compact Star Simulations

We generate three families of extended covariant density functionals of nuclear matter that have varying slope of symmetry energy and skewness at nuclear saturation density, but otherwise share the same basic parameters (symmetry energy, compressibility, saturation parameters, etc.) with the standard DDME2, DD2, and MPE functionals. Tables of the parameters of these new density functionals are given, which can be straightforwardly used in DDME2, DD2, and MPE parameterization-based codes. Furthermore, we provide tables of a large number of equations of state (81 for each family) that can be used in astrophysical simulations to assess the impact of variations of the not-well-known slope of symmetry energy and skewness of nuclear systems on the astrophysics of compact objects. We also provide tables of computed integral parameters (mass, radius, and tidal deformability) that can be used, e.g., for modeling gravitational waveforms. Finally, for the extended DDME2-based parameterization, we implement a first-order phase transition to quark matter to obtain a family of equations of state that accommodates a phase transition to quark matter. Analogous tables of the equations of state and integral parameters are provided for this case as well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Improvements to the New CTH Code Verification & Validation Test Suite (FY2020)

The CTH multiphysics hydrocode, which is used for a wide range of important calculations, has undertaken in recent years to overhaul its software quality and testing processes. A key part of this effort entailed building a new, robust V&V test suite made up of traditional hydrocode verification problems, such as those listed in the ASC Tri-Lab Test Suite and the Enhanced Tri-Lab Test Suite, as well as validation problems for some of CTHs most frequently used equations of state, materials models, and other key capabilities. Substantial progress towards this goal was made in FY19. In FY20, this test suite has been expanded to include verification and validation tests of the Sesame and JWL equation of state models as well as the Mader verification problem from the Tri-Lab Test Suite and the Blake verification problem - a linear elastic analog to the Hunter problem from the Enhanced Tri-Lab Test Suite. This report documents CTH performance on the new test suite problems. Verification test results are compared to analytic solutions and, for most tests, convergence results are presented. Validation test results are compared to experimental data and mesh refinement studies are included. CTH performs well overall on the new test problems. Convergence rates for the Blake and Mader problems are comparable to those for similar ASC codes. The JWL and Sesame verification tests show good agreement with analytic solutions. Likewise, CTH simulation results show good agreement with experimental validation data for the Sesame and JWL equations of state for the materials tested. Future V&V work will focus on adding tests for other key capabilities like fracture and high explosive models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Comprehensive simulation of heavy-ion collisions at nonzero baryon chemical potential

Here, we present results of hydrodynamic modeling of Au-Au collisions from $\sqrt{s_{NN}}$ = 7.7 to 200 GeV. Our simulations have three novel components. First, we use a Linear EXtrapolation of Ultratrelativistic nucleon-nucleon Scattering to nucleus-nucleus collisions (LEXUS) inspired Monte Carlo initial-state model. Second, we use a crossover equation of state at finite baryon densities without a critical point. Finally, we use departure functions derived from the quasiparticle theory of transport coefficients for hadronic matter at nonzero baryon densities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Symmetrization of Strong Hydrogen Bond under High Pressure in Bihydroxide-Ion-Containing NaCu 2 (SO 4 ) 2 ·H 3 O 2 Revealed by Experimental Charge Density, Single-Crystal Electron Diffraction, and Neutron Diffraction Studies

In minerals and inorganic compounds, strong hydrogen bonding can lead to the formation of complex ionic species such as the H 3 O 2 – bihydroxide anion and Zundel cation H 5 O 2 + . We studied [NaCu 2 (SO 4 ) 2 ·H 3 O 2 ] natrochalcite, which contains bihydroxide anions and undergoes hydrogen bond symmetrization at the lowest pressure reported so far among inorganic compounds. Hydrogen bond symmetrization leads to changes in the bulk modulus, seismic wave velocities, and proton mobility and plays a primary role in high-temperature superconductivity, but its characteristics are not well understood due to a lack of systematic studies and limitations of experimental methods sensitive to this subtle change. In this work, we applied experimental charge density analysis based on in situ single-crystal X-ray diffraction data, along with the single-crystal neutron and electron diffraction experiments, to probe the behavior of hydrogen atoms during the hydrogen bond symmetrization process under high-pressure conditions. On the way to the symmetrical H-bonding, natrochalcite undergoes a series of complex redistributions of electron density, which we trace with multipole refinement and detailed analysis of changes in the Laplacian of electron density values. Additionally, we deconvoluted the equation of state (volume of the unit cell vs pressure relation) into the atomic equation of states describing dependencies of atomic charges or volumes vs pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1980

Structure and evolution of Uranus and Neptune

Three-layer interior models of Uranus and Neptune with central rocky cores, mantles of water, methane, and ammonia (the 'ices'), and outer envelopes primarily composed of hydrogen and helium are presented. The models incorporate a new H2O equation of state based on experimental data which is considerably 'softer' than previous H2O equations of state. Corrections for interior temperatures approximately 5000 K are included in the models, and the thermal evolution of both planets is investigated using recent heat flow measurements. It is found that the evolutionary considerations are consistent with gravitational field data in supporting models with approximately solar abundances of 'ice' and 'rock'. Evolutionary considerations indicate that initial temperatures and luminosities for Uranus and Neptune were not substantially higher than the present value. Both planets apparently have relatively small approximately 1-2 earth masses) hydrogen-helium envelopes, with Neptune's envelope smaller than Uranus'. A monotonic trend is evident among the Jovian planets: all have central rock-ice cores of approximately 15 earth masses, but with hydrogen-helium envelopes which decrease in mass from Jupiter to Saturn to Uranus to Neptune.

Hubbard, W. B.↗
DOE OSTI2022

Adaptive Mesh Refinement Large Eddy Simulation of the Supercritical Carbon Dioxide Round Turbulent Jet

Supercritical carbon dioxide (sCO2) is of interest to a range of engineering problems, including carbon capture, utilization, and storage (CCUS) as well as advanced cycles for power generation. Non-ideal variations in physical properties of sCO2 impact the physics of these systems. In this study, we simulate turbulent sCO2 jets to gain a better understanding of these physics.We use a second order finite volume method with adaptive mesh refinement as implemented in the first-principles simulation code PeleC to perform a Large Eddy Simulation (LES) of three turbulent jets of sCO2. Additionally, we use the Soave-Redlich-Kwong equation of state to close the system and examine the impact of a cubic equation of state on the turbulent flow physics. We look at velocity and Reynolds stress profiles at different downstream locations for three cases in which the temperature of the jet andthat of the ambient fluid differ in order to capture the effects of widely varying thermal properties in the pseudocritical region. These results are then contrasted with established theory for ideal gas jets.

adaptive mesh refinement↗
NASA NTRS2013

The W-W02 Oxygen Fugacity Buffer at High Pressures and Temperatures: Implications for f02 Buffering and Metal-silicate Partitioning

Oxygen fugacity (fO2) controls multivalent phase equilibria and partitioning of redox-sensitive elements, and it is important to understand this thermodynamic parameter in experimental and natural systems. The coexistence of a metal and its oxide at equilibrium constitutes an oxygen buffer which can be used to control or calculate fO2 in high pressure experiments. Application of 1-bar buffers to high pressure conditions can lead to inaccuracies in fO2 calculations because of unconstrained pressure dependencies. Extending fO2 buffers to pressures and temperatures corresponding to the Earth's deep interior requires precise determinations of the difference in volume (Delta) V) between the buffer phases. Synchrotron x-ray diffraction data were obtained using diamond anvil cells (DAC) and a multi anvil press (MAP) to measure unit cell volumes of W and WO2 at pressures and temperatures up to 70 GPa and 2300 K. These data were fitted to Birch-Murnaghan 3rd-order thermal equations of state using a thermal pressure approach; parameters for W are KT = 306 GPa, KT' = 4.06, and αKT = 0.00417 GPa K-1. Two structural phase transitions were observed for WO2 at 4 and 32 GPa with structures in P21/c, Pnma and C2/c space groups. Equations of state were fitted for these phases over their respective pressure ranges yielding the parameters KT = 190, 213, 300 GPa, KT' = 4.24, 5.17, 4 (fixed), and αKT = 0.00506, 0.00419, 0.00467 GPa K-1 for the P21/c, Pnma and C2/c phases, respectively. The W-WO2 buffer (WWO) was extended to high pressure by inverting the W and WO2 equations of state to obtain phase volumes at discrete pressures (1-bar to 100 GPa, 1 GPa increments) along isotherms (300 to 3000K, 100 K increments). The slope of the absolute fO2 of the WWO buffer is positive with increasing temperature up to approximately 70 GPa and is negative above this pressure. The slope is positive along isotherms from 1000 to 3000K with increasing pressure up to at least 100 GPa. The WWO buffer is at a higher fO2 than the IW buffer at pressures lower than 40 GPa, and the magnitude of this difference decreases at higher pressures. This qualitatively indicates an increasingly lithophile character for W at higher pressures. The WWO buffer was quantitatively applied to W metal-silicate partitioning by using the WWO-IW buffer difference in combination with literature data on W metal-silicate partitioning to model the exchange coefficient (KD) for the Fe-W exchange reaction. This approach captures the pressure dependence of W metal-silicate partitioning using the WWO-IW buffer difference and models the activities of the components in the silicate and metallic phases using an expression of the Gibbs excess energy of mixing. Calculation of KD along a peridotite liquidus predicts a decrease in W siderophility at higher pressures that supports the qualitative behavior predicted by the WWO-IW buffer difference, and agrees with findings of others. Comparing the competing effects of temperature and pressure on W metal-silicate partitioning, our results indicate that pressure exerts a greater effect.

Shofner, G. A.↗
DOE OSTI2023

Investigating signatures of phase transitions in neutron-star cores

Neutron stars explore matter at the highest densities in the universe such that their inner cores might undergo a phase transition from hadronic to exotic phases, e.g., quark matter. Such a transition could be associated with nontrivial structures in the density behavior of the speed of sound, such as jumps and sharp peaks. Here, in this work, we employ a physics-agnostic approach to model the density dependence of the speed of sound in neutron stars and study to what extent the existence of nontrivial structures can be inferred from existing astrophysical observations of neutron stars. For this, we exhaustively study different equations of state, including as well those with explicit first-order phase transitions. We obtain a large number of different equation of states which reproduce the same astrophysical observations and obey the same physical constraints, such as mechanical stability and causality. Among them, some have nontrivial structures in the sound speed whereas others do not. We conclude that astrophysical information to date do not require the existence of a phase transition to quark matter in the density range explored in the core of neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

A platform to measure isentropes from proton-heated warm dense matter on short pulse laser facilities

We describe the development of an experimental platform that measures the release isentrope of materials heated isochorically to temperatures of a few electron volts, using short-pulse laser-produced protons to heat the sample and long-pulse laser-produced x rays to perform streaked x-ray radiography. The density profiles derived from the radiography data are integrated to generate pressure–density isentropes, independent of prior knowledge of the equation of state of the sample material. In order to understand the sensitivities of isentrope extraction from radiography data, we analyze synthetic radiographs generated by a radiation hydrodynamics code. Noise reduction and high spatial resolution are critical for isentrope reconstruction, as demonstrated by the analysis of a proof-of-principle shot day on the OMEGA-EP facility. In conclusion, the data demonstrate the feasibility of the platform for characterizing isentropes, and we discuss the necessary improvements to enhance precision in differentiating between equation-of-state models.

Equations of state↗
DOE OSTI2023

Investigating the time dependence of neutron-proton equilibration using molecular dynamics simulations

Neutron-proton equilibration has previously been studied experimentally in dynamically deformed nuclei in heavy ion collisions [Phys. Rev. Lett. 118, 062501 (2017); Phys. Rev. C 95, 044604 (2017)] using the NIMROD detector array at the Cyclotron Institute at Texas A&M University. Results indicated the composition of the two heaviest fragments originating from the excited projectile-like fragment evolved exponential with respect to their orientation angle to be more similar. Constrained Molecular Dynamics and Antisymmetrized Molecular Dynamics simulations were performed for different formulations of the density dependence of the asymmetry energy term of the nuclear equation of state. The simulations are compared to experimental results, which indicate a better agreement with a softer interaction in the nuclear equation of state.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2020

Thermal Analysis, Compressibility, and Decomposition of Synthetic Bastnäsite-(La) to Lanthanum Oxyfluoride

Understanding basic material properties of rare earth element (REE) bearing minerals such as their phase stability and equations of state can assist in understanding how economically viable deposits might form. Bastnäsite is the most commonly mined REE bearing mineral. We synthesized the lanthanum-fluoride end member, bastnäsite-(La) (LaCO3F), and investigated its thermal behavior and decomposition products from 298 K to 1173 K under ambient pressure conditions through thermogravimetric analysis, differential scanning calorimetry, evolved gas analysis, and high temperature powder X-ray diffraction. We also investigated the compressibility of bastnäsite-(La) via single crystal X-ray diffraction in diamond anvil cells at an ambient temperature up to 11.3 GPa and from 4.9 GPa to 7.7 GPa up to 673 K. At ambient pressure, bastnäsite-(La) was stable up to 598 K in air, where it decomposed into CO2 and tetragonal γ-LaOF. Above 948 K, cubic α-LaOF is stable. High temperature X-ray diffraction data were used to fit the Fei thermal equation of state and the thermal expansion coefficient α(sub 298) for all three materials. Bastnäsite-(La) was fit from 298 K to 723 K with V(sub 0) = 439.82 Å(exp 3), α(sub 298) = 4.32 × 10(exp -5) K(exp -1), a(sub 0) = −1.68 × 10(exp -5) K(exp -1), a(sub 1) = 8.34 × 10(exp -8) K(exp -1), and a(sub 2) = 3.126 K(exp -1). Tetragonal γ-LaOF was fit from 723 K to 948 K with V(sub 0) = 96.51 Å(exp 3), α(sub 298) = 2.95×10(exp -4) K(exp -1), a(sub 0) = −2.41×10(exp -5) K(exp -1), a(sub 1) = 2.42×10(exp -7) K(exp -1), and a(sub 2) = 41.147 K(exp -1). Cubic α-LaOF was fit from 973 K to 1123 K with V(sub 0) = 190.71 Å(exp 3), α(sub 298) = −1.12×10(exp -5) K(exp -1), a(sub 0) = 2.36×10(exp -4) K(exp -1), a(sub 1) = −1.73 × 10(exp -7) K(exp -1), and a(sub 2) = −17.362 K(exp -1). An ambient temperature third order Birch–Murnaghan equation of state was fit with V(sub 0) = 439.82 Å(exp 3), K(sub 0) = 105 GPa, and K’ = 5.58.

Bastnäsite↗
DOE OSTI2024

Assessing observational constraints on dark energy

Observational constraints on time-varying dark energy (e.g., quintessence) are commonly presented on a w 0 –w a plot that assumes the equation of state of dark energy strictly satisfies w(z) = w 0 + w a z/(1 + z) as a function of the redshift z. Recent observations favor a sector of the w 0 –w a plane in which w 0 > –1 and w 0 + w a < –1, suggesting that the equation of state underwent a transition from violating the null energy condition (NEC) at large z to obeying it at small z. In this paper, we demonstrate that this impression is misleading by showing that simple quintessence models satisfying the NEC for all z predict an observational preference for the same sector. We also find that quintessence models that best fit observational data can predict a value for the dark energy equation of state at present that is significantly different from the best-fit value of w 0 obtained assuming the parameterization above. In addition, the analysis reveals an approximate degeneracy of the w 0 –w a parameterization that explains the eccentricity and orientation of the likelihood contours presented in recent observational studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Liquid-Vapor Coexistence and Critical Point of Mg 2 SiO 4 From Ab Initio Simulations

Hypervelocity impact-driven vaporization is characteristic of late-stage planet formation. Yet the behavior and properties of liquid-vapor mixtures of planetary materials of interest are typically unknown. Multiphase equations of state used in hydrodynamic simulations of planet impacts therefore lack reliable data for this important phenomenon. Here, we present the first constraints on the liquid-vapor critical point and coexistence phase boundary of Mg2SiO4 computed from ab initio molecular dynamics simulations. We found that the vapor is depleted in magnesium and enriched in silica and oxygen, while the coexisting liquid is enriched in magnesium and depleted in oxygen, from which we infer vaporization is incongruent. The critical point was estimated from an equation of state fit to the data. The results are in line with recent calculations of MgSiO3 and together confirm that extant multiphase equation of state (EOS) models used in planetary accretion modeling significantly underestimate the amount of supercritical material postimpact.

58 GEOSCIENCES↗
DOE OSTI2021

Machine Learning for Conservative-to-Primitive in Relativistic Hydrodynamics

The numerical solution of relativistic hydrodynamics equations in conservative form requires root-finding algorithms that invert the conservative-to-primitive variables map. These algorithms employ the equation of state of the fluid and can be computationally demanding for applications involving sophisticated microphysics models, such as those required to calculate accurate gravitational wave signals in numerical relativity simulations of binary neutron stars. This work explores the use of machine learning methods to speed up the recovery of primitives in relativistic hydrodynamics. Artificial neural networks are trained to replace either the interpolations of a tabulated equation of state or directly the conservative-to-primitive map. The application of these neural networks to simple benchmark problems shows that both approaches improve over traditional root finders with tabular equation-of-state and multi-dimensional interpolations. In particular, the neural networks for the conservative-to-primitive map accelerate the variable recovery by more than an order of magnitude over standard methods while maintaining accuracy. Neural networks are thus an interesting option to improve the speed and robustness of relativistic hydrodynamics algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1984

Rate equations analysis of phase-locked semiconductor laser arrays under steady state conditions

Rate equations analysis of phase-locked semiconductor laser arrays has been carried out. It was found that for given (laser) current densities, the photon density distribution in the array elements is that particular one which maximizes the total photon density. The results of this analysis were then combined with the waveguide properties of the laser array waveguide, yielding a basic model of phase-locked diode laser arrays. This model explains the effects of the variation of the current combination through the array elements on its mode structure that were observed recently.

Katz, J.↗
DOE OSTI2025

Assessing the impact of uniform rotation on the structure of neutron stars

Driven by recent laboratory experiments and astronomical observations, significant advances have deepened our understanding of neutron-star physics. NICER's Pulse Profile Modeling has refined our knowledge of neutron star masses and radii, while gravitational-wave detections have revealed key insights into the structure of neutron stars. Particularly relevant is the extraction of the tidal deformability by the LIGO-Virgo collaboration and the most recent determination of stellar radii by NICER, both suggesting a relatively soft equation of state (EOS) at intermediate densities. Additionally, measurements from the PREX collaboration and from pulsar timing suggest instead that the EOS is stiff in the vicinity of saturation density and at the highest densities accessible to date. But how stiff can the EOS be at these very high densities? Recent events featuring compact objects near the “lower mass gap” have raised questions about the existence of very massive neutron stars. Motivated by this finding and in light of new refinements to theoretical models, we explore the possibility that these massive objects may indeed be rapidly rotating neutron stars. Here, we explore how rotation affects both the maximum neutron star mass and their associated radii, and discuss the implications they may have on the equation of state.

Equations of state of nuclear matter↗
DOE OSTI2022

Ta compressibility to 20+ Mbar

Developing techniques for experimentally constraining equation of state (EOS) models for important programmatic materials under extreme conditions is vital for advancing our modeling and predictive capabilities. Tantalum is a frequently used standard material for both calibration and testing, and this report describes our work to both measure Ta compressibility to very high pressures and densities using the Ramp Compression Equation of State platform on the National Ignition Facility (NIF). Using a series of seven shots, increasing in peak pressure with each shot, we have made absolute measurements of the compressibility of Ta along the ramp compression path up to 2.3 TPa. Previous experimental measurements constrained the cold compressibility up to ~400 GPa, and there is a spread in the EOS models above that pressure. To improve communication and collaboration between the experimental team and the EOS development group, these new data, along with other experimental and theoretical constraints, were used to develop a Ta equation of state table, M73000. This report first describes the experimental measurements made at the NIF, and then discusses the construction of the EOS model. The ramp compression data can be found in tabular form in Appendix A. Appendix B contains some additional experimental details. In Appendix C we include some additional details on the EOS modeling. At the end of this document, we have attached a detailed report on the NIF ramp compression platform itself and in the main text referenced specific sections for additional details.

36 MATERIALS SCIENCE↗