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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Exact general solutions for cosmological scalar field evolution in a background-dominated expansion

We derive exact general solutions (as opposed to attractor particular solutions) and corresponding first integrals for the evolution of a scalar field $\phi$ in a universe dominated by a background fluid with equation of state parameter wB. In addition to the previously examined linear [V($\phi$)=V 0 $\phi$] and quadratic [V($\phi$)=V 0 $\phi$ 2 ] potentials, we show that exact solutions exist for the power-law potential V($\phi$)=V 0 $\phi$ n with n=4(1+w B )/(1-w B )+2 and n=2(1+w B )/(1-w B ). These correspond to the potentials V($\phi$)=V 0 $\phi$ 6 and V($\phi$)=V 0 $\phi$ 2 for matter domination and V($\phi$)=V 0 $\phi$ 10 and V($\phi$)=V 0 $\phi$ 4 for radiation domination. The $\phi$ 6 and $\phi$ 10 potentials can yield either oscillatory or nonoscillatory evolution, and we use the first integrals to determine how the initial conditions map onto each form of evolution. The exponential potential yields an exact solution for a stiff/kination (w B =1) background. We use this exact solution to derive an analytic expression for the evolution of the equation of state parameter, $w_\phi$, for this case.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Toward first principles-based simulations of dense hydrogen

Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g., planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) and laboratory experiments, including inertial confinement fusion. There exists experimental data for the equation of state, conductivity, and Thomson scattering spectra. However, the analysis of the measurements at extreme pressures and temperatures typically involves additional model assumptions, which makes it difficult to assess the accuracy of the experimental data rigorously. On the other hand, theory and modeling have produced extensive collections of data. They originate from a very large variety of models and simulations including path integral Monte Carlo (PIMC) simulations, density functional theory (DFT), chemical models, machine-learned models, and combinations thereof. At the same time, each of these methods has fundamental limitations (fermion sign problem in PIMC, approximate exchange–correlation functionals of DFT, inconsistent interaction energy contributions in chemical models, etc.), so for some parameter ranges accurate predictions are difficult. Recently, a number of breakthroughs in first principles PIMC as well as in DFT simulations were achieved which are discussed in this review. Here we use these results to benchmark different simulation methods. We present an update of the hydrogen phase diagram at high pressures, the expected phase transitions, and thermodynamic properties including the equation of state and momentum distribution. Furthermore, we discuss available dynamic results for warm dense hydrogen, including the conductivity, dynamic structure factor, plasmon dispersion, imaginary-time structure, and density response functions. We conclude by outlining strategies to combine different simulations to achieve accurate theoretical predictions that are based on first principles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2001

Surfactant Facilitated Spreading of Aqueous Drops on Hydrophobic Surfaces

Microgravity technologies often require aqueous phases to spread over nonwetting hydrophobic solid surfaces. Surfactants facilitate the wetting of water on hydrophobic surfaces by adsorbing on the water/air and hydrophobic solid/water interfaces and lowering the surface tensions of these interfaces. The tension reductions decrease the contact angle, which increases the equilibrium wetted area. Hydrocarbon surfactants; (i.e., amphiphiles with a hydrophobic moiety consisting of an extended chain of (aliphatic) methylene -CH2- groups attached to a large polar group to give aqueous solubility) are capable of reducing the contact angles on surfaces which are not very hydrophobic, but do not reduce significantly the contact angles of the very hydrophobic surfaces such as parafilm, polyethylene or self assembled monolayers. Trisiloxane surfactants (amphiphiles with a hydrophobe consisting of methyl groups linked to a trisiloxane backbone in the form of a disk ((CH3)3-Si-O-Si-O-Si(CH3)3) and an extended ethoxylate (-(OCH2CH2)a-) polar group in the form of a chain with four or eight units) can significantly reduce the contact angle of water on a very hydrophobic surface and cause rapid and complete (or nearly complete) spreading (termed superspreading). The overall goal of the research described in this proposal is to establish and verify a theory for how trisiloxanes cause superspreading, and then use this knowledge as a guide to developing more general hydrocarbon based surfactant systems which superspread. We propose that the trisiloxane surfactants superspread because their structure allows them to strongly lower the high hydrophobic solid/aqueous tension when they adsorb to the solid surface. When the siloxane adsorbs, the hydrophobic disk parts of the molecule adsorb onto the surface removing the surface water. Since the cross-sectional area of the disk is larger than that of the extended ethoxylate chain, the disks can form a space-filling mat on the surface which removes a significant amount of the surface water. In this presentation, we report the results of measurements of the molecular packing and rates of kinetic exchange of the trisiloxane surfactants at the air/water interface in order to confirm our picture of trisiloxane packing, and provide additional insight into the superspreading process. We used the pendant bubble technique as a Langmuir trough to measure the trisiloxane equation of state which relates the tension to the surface concentration. From these measurements we obtain accurate values for the maximum packing density. We find that trisiloxanes with 4 and 8 ethoxylate groups have the same maximum packing concentration, indicating that the maximum packing is controlled by the cross section of the head group. For trisiloxanes with larger than eight ethoxylates, the maximum packing increases with ethoxylate number, indicating that the disposition of the ethoxylate chain (i.e., its effective size) is controlling. This supports our picture of superspreading: The superspreading ability of trisiloxanes decreases considerably for trisiloxanes with larger than eight ethoxylates; the packing measurements indicate that for the higher ethoxylate number trisiloxanes, the compact nonpolar head groups are pushed apart by the ethoxylate chain. They leave spaces of surface water on adsorption and do not lower the solid tension as much as their lower chain analogues. Finally the report measurements of the dynamic tension reduction accompanying the adsorption of trisiloxanes onto an initially clean interface using the pendant bubble technique, and we obtain from these relaxations, the equation of state and a mass transfer model, the rate constants for kinetic exchange. We find that the rate constants for desorption of trisiloxanes are generally much slower than for analogous aliphatic polyethoxylate surfactants with identical ethoxylate chain lengths. When an aqueous drop of a superspreader solution is placed on a hydrophobic surface and begins to spread, the lower desorption rates allows the tension at the drop center to remain reduced relative to the tension of the expanding periphery, thus strengthening Marangoni forces which can assist the spreading. Marangoni forces can be especially significant in the case of superspreaders because their maximum equilibrium reduction in tension is several dynes/cm lower than for aliphatic surfactants.

Kumar, Nitin↗
DOE OSTI2021

Progress report on analytic and numerical studies of x-ray-induced impulse

In a variety of high-energy-density (HED) systems, x-rays of a given energy are used to generate shockwaves, bulk motion, and impulse in materials. As radiation energy is deposited within the material, the material is heated. The number of photons of a certain wavelength absorbed is determined by the spectral intensity of the radiation and the material’s opacity evaluated at that wavelength. This heating results in a pressure increase dictated by the material’s equation of state. Depending on the intensity of the absorbed radiation, it may also cause the material to change phase into a liquid, gas, or plasma. The increased pressure drives the heated surface layer to blow off, imparting impulse and sending a compressive wave into the bulk of the material. Additionally, the compression wave interacts with the solid boundary of the material, resulting in a tensile wave that may cause the material to spall. The impulse generated by the deposition of x-ray energy within the sample can be modeled using purely analytical methods, e.g. the Bethe, Bade, Averell, and Yost (BBAY) model. However, the blow-off process is rather complicated, and proper modeling efforts must account for material ejected by spallation, vaporization, jetting, and plasma ablation. For this reason, analytical models have an unclosed term describing the final energy of the blown-off material Ef(z). Prior modeling efforts have arbitrarily fixed this at some value or modeled it using a limiting set of thermodynamic assumptions. The work we are currently performing uses validated simulations using sophisticated photon transport, equation of state, and strength models/data to provide a fit for Ef(z) that is useful for predictive calculation of impulse. We will apply our methodology and show results for different materials and x-ray sources. This work is particularly useful for the design of experiments studying x-ray impulse generation. The present report is outlined as follows. Section 1.2 describes a series of HED experiments investigating x-ray-generated impulse in materials. Section 1.3 describes the computational approach we employ in this study, and presents validation results against the aforementioned experiments. Section 1.4 introduces analytical models for impulse generation, as well as our method for utilizing impulse from simulations to close the models. We discuss the concept of impulse-spectrum sensitivity, it’s application to uncertainty quantification, and derive a very useful analytical expression for it in 1.5. We then summarize recent progress in this project and discuss future work in section 1.6.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Tethers as Debris: Simulating Impacts of Kevlar Tethers on Shuttle Tiles

In a previous paper I examined the effects of impacts of polymer tethers on aluminum plates using the SPHC hydrodynamic code. In this paper I apply tether models to a new target - models of Space Shuttle tiles developed during the STS 107 accident investigation. In this three-dimensional simulation, a short tether fragment strikes a single tile supported on an aluminum backing plate. A tile of the LI-900 material is modeled. Penetration and damage to the tile and the backwall are characterized for three normal impact velocities. The tether is modeled as a bundle of eight 1-mm strands, with the bundle having dimensions 2-mm x 4-mm x 20-cm. The bulk material properties used are those of Kevlar(TradeMark) 49, for which a Mie-Gruneisen multiphase equation of state (eos) is used. In addition, the strength model is applied in a linear sense, such that tensile loads along the strand length are supported, but there is no strength in the lateral directions. Tile models include the various layers making up the tile structure. The outermost layer is a relatively dense borosilicate glass, known as RCG, 0.5-mm thick. The RCG layer is present on the top and four sides of the tile. Below this coating is the bulk of the tile, 1.8- in thick, made of LI-900, a product consisting of rigidized fiberous silica with a density of 9 lWft3. Below the main insulating layer is a bottom layer of the same material that has been treated to increase its density by approximately 69% to improve its strength. This densified layer is bonded to a Strain Isolation Pad (SIP), modeled as a refractory felt fabric. The SIP is bonded to an aluminum 2024 wall 0.1-in thick. The tile and backwall materials use a Me-Gruneisen multiphase eos, with the exception of the SIP felt, which uses a fabric equation of state. Fabrics must be crushed to the full bulk material density before bulk material properties and a Mie-Gruneisen eos are applied. Tether fragment impact speeds of 3,7, and 10 km/s are simulated, with impact velocities normal to the tile face. Damage results are presented in tabular format.

Evans, Steven W.↗
DOE OSTI2023

Reverse phase transitions in binary neutron-star systems with exotic-matter cores

Multimessenger observations of binary neutron-star mergers provide a unique opportunity to constrain the dense-matter equation of state. Although it is known from quantum chromodynamics that hadronic matter will undergo a phase transition to exotic forms of matter—e.g., quark matter—the onset density of such a phase transition cannot be computed from first principles. Hence, it remains an open question if such phase transitions occur inside isolated neutron stars or during binary neutron-star mergers, or if they appear at even higher densities that are not realized in the cosmos. Here, in this article, we perform numerical relativity simulations of neutron-star mergers and investigate scenarios in which the onset density of such a phase transition is exceeded in at least one inspiraling binary component. Our simulations reveal that shortly before the merger, it is possible that such stars undergo a “reverse phase transition”—i.e., densities decrease and the quark core inside the star disappears, leaving a purely hadronic star at merger. After the merger, when densities increase once more, the phase transition occurs again and leads, in the cases considered in this work, to the rapid formation of a black hole. We compute the gravitational-wave signal and the mass ejection for our simulations of such scenarios and find clear signatures that are related to the postmerger phase transition—e.g., smaller ejecta masses due to the softening of the equation of state through the quark core formation. Unfortunately, we do not find measurable imprints of the reverse phase transition.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Cosmological Constraints from Gas Mass Fractions of Massive, Relaxed Galaxy Clusters

We present updated cosmological constraints from measurements of the gas mass fractions (f(gas)) of massive, dynamically relaxed galaxy clusters. Our new data set has greater leverage on models of dark energy, thanks to the addition of the Perseus cluster at low redshifts, two new clusters at redshifts z greater than or similar to 1, and significantly longer observations of four clusters at 0.6 < z < 0.9. Our low-redshift (z < 0.16) f(gas) data, combined with the cosmic baryon fraction measured from the cosmic microwave background (CMB), imply a Hubble constant of h = 0.722 +/- 0.067. Combining the full f(gas) data set with priors on the cosmic baryon density and the Hubble constant, we constrain the dark energy density to be Omega(Lambda) = 0.865 +/- 0.119 in non-flat Lambda cold dark matter (cosmological constant) models, and its equation of state to be in flat, constant-w models, respectively 41percent and 29percent tighter than our previous work, and comparable to the best constraints available from other probes. Combining f(gas), CMB, supernova, and baryon acoustic oscillation data, we also constrain models with global curvature and evolving dark energy. For the massive, relaxed clusters employed here, we find the scaling of f(gas) with mass to be consistent with a constant, with an intrinsic scatter that corresponds to just similar to 3percent in distance.

clusters: general – X-rays:↗
DOE OSTI2025

DESI 2024: Constraints on physics-focused aspects of dark energy using DESI DR1 BAO data

Baryon acoustic oscillation data from the first year of the Dark Energy Spectroscopic Instrument (DESI) provide near percent-level precision of cosmic distances in seven bins over the redshift range z=0.1–4.2. Here, this paper is the follow-up to the original DESI BAO cosmology paper [A. G. Adame et al. (DESI Collaboration), arXiv:2404.03002], which considered the conventional w 0 w a cold dark matter (CDM) model. We use the novel DESI data, together with other cosmic probes, to constrain the background expansion history using some well-motivated physical classes of dark energy. In particular, we explore three physics-focused behaviors of dark energy from the equation of state and energy density perspectives: the thawing class (matching many simple quintessence potentials), emergent class (where dark energy comes into being recently, as in phase transition models), and mirage class [where phenomenologically the distance to cosmic microwave background (CMB) last scattering is close to that from a cosmological constant Λ despite dark energy dynamics]. All three classes fit the data at least as well as Λ ⁢CDM, and indeed can improve on it by Δ⁢χ 2 ≈ –5 to –17 for the combination of DESI BAO with CMB and supernova data while having one more parameter. The mirage class does essentially as well as w 0 ⁢w a CDM and exhibits moderate to strong Bayesian evidence preference with respect to Λ⁢ CDM. These classes of dynamical behaviors highlight worthwhile avenues for further exploration into the nature of dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Potential Economic Values of Low-Vapor-Pressure Gasoline-Range Bio-Blendstocks: Property Estimation, and Blending Optimization

Adding non-traditional blendstocks derived from biomass into gasoline has gained renewed interest since it will reduce greenhouse gas emissions and potentially enhance fuel properties and boost engine efficiencies. A competitive bio-blendstock candidate should have either lower prices or superior properties or both relative to conventional gasoline blending components. Gasoline is a mixture of hundreds compounds specified by properties rather than compositions. The addition of bio-blendstocks, most likely oxygenates, will modify the property mixing rules due to the non-ideal interactions between polar and nonpolar components. This paper presents an equation-of-state-based model for predicting Reid vapor pressure, reduced order non-linear property blending models for computing key properties of final gasoline products, and a blending optimization approach to identify key economic drivers. This paper also evaluates the economic values of bio-blendstocks to petroleum refiners using those models. In additional to ethanol, six low-vapor-pressure bio-blendstock candidates were evaluated: i-propanol, n-propanol, i-butanol, diisobutylene, cyclopentanone, and a mixture of furans. Reid vapor pressure, distillation temperatures, and octane numbers were identified as the key economic drivers of adding bio-blendstock. The economic values of those bio-blendstocks range from 2.22 to 4.00 US dollar per gasoline gallon equivalent in 2013 to 2017 5-year averaged price basis. The bio-blendstocks with higher octane numbers may have higher economic values. The uncertainties in property predictions may lead to roughly 15% deviation in the economic value evaluation.

Jiang, Yuan↗
DOE OSTI2025

Multiframe X-ray diffraction on the OMEGA EP laser

A method of measuring multiple temporally resolved powder x-ray diffraction measurements during a single dynamic compression laser experiment has been demonstrated on the OMEGA EP laser. Up to four time-gated snapshots of the x-ray diffraction pattern are collected on an ultrafast x-ray framing camera with a 2θ scattering angle coverage of 48°–65° and 400-ps temporal resolution with the potential for 10°–160° and 200-ps resolution. X-ray diffraction snapshots capture the transformation to a high-pressure β phase in ramp-compressed Zr, constraining the atomic structure and pressure–density equation-of-state in a single shot. Here, this platform will be used to constrain transition pressures, understand the role of kinetics, and verify the existence of hysteresis and metastability on phase transformations at the lattice level under single-shot dynamic compression.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

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↗
NASA NTRS1991

A finite element model of conduction, convection, and phase change near a solid/melt interface

Detailed understanding of heat transfer and fluid flow is required for many aerospace thermal systems. These systems often include phase change and operate over a range of accelerations or effective gravitational fields. An approach to analyzing such systems is presented which requires the simultaneous solution of the conservation laws of energy, momentum, and mass, as well as an equation of state. The variable property form of the governing equations are developed in two-dimensional Cartesian coordinates for a Newtonian fluid. A numerical procedure for solving the governing equations is presented and implemented in a computer program. The Galerkin form of the finite element method is used to solve the spatial variation of the field variables, along with the implicit Crank-Nicolson time marching algorithm. Quadratic Langrangian elements are used for the internal energy and the two components of velocity. Linear Lagrangian elements are used for the pressure. The location of the solid/liquid interface as well as the temperatures are determined form the calculated internal energy and pressure. This approach is quite general in that it can describe heat transfer without phase change, phase change with a sharp interface, and phase change without an interface. Analytical results from this model are compared to those of other researchers studying transient conduction, convection, and phase change and are found to be in good agreement. The numerical procedure presented requires significant computer resources, but this is not unusual when compared to similar studies by other researchers. Several methods are suggested to reduce the computational times.

Viterna, Larry A.↗
NASA NTRS1991

The computation of standard solar models

Procedures for calculating standard solar models with the usual simplifying approximations of spherical symmetry, no mixing except in the surface convection zone, no mass loss or gain during the solar lifetime, and no separation of elements by diffusion are described. The standard network of nuclear reactions among the light elements is discussed including rates, energy production and abundance changes. Several of the equation of state and opacity formulations required for the basic equations of mass, momentum and energy conservation are presented. The usual mixing-length convection theory is used for these results. Numerical procedures for calculating the solar evolution, and current evolution and oscillation frequency results for the present sun by some recent authors are given.

Ulrich, Roger K.↗
NASA NTRS1995

Optimization methods, flux conserving methods for steady state Navier-Stokes equation

Navier-Stokes equation as discretized by new flux conserving method proposed by Chang and Scott results in the system: vector F(vector x) = 0, where F is a vector valued function. The Optimization method we use is based on Quasi-Newton methods: given a nonlinear function vector F(vector x) = 0, we solve, Delta(vector x) = -BF(vector x), where Delta(vector x) is the correction term and B is the inverse Jacobian of F(x). Then, iteratively, vector(x(sub (i+1))) = vector(x (sub i)) + alpha.Delta(vector x(sub i)), where alpha is a line search correction term determined by a line search routine. We use the BFCG's update the Jacobian matrix B(sub k) at each iteration. It is well known that B(sub k) approaches B(*) at the solution X(*). This algorithm has several advantages over the Newton-Raphson method. For example, we do not need to calculate the Jacobian matrix at each iteration which is computationally very expensive.

Adeyeye, John↗
NASA NTRS1998

A Second Law Based Unstructured Finite Volume Procedure for Generalized Flow Simulation

An unstructured finite volume procedure has been developed for steady and transient thermo-fluid dynamic analysis of fluid systems and components. The procedure is applicable for a flow network consisting of pipes and various fittings where flow is assumed to be one dimensional. It can also be used to simulate flow in a component by modeling a multi-dimensional flow using the same numerical scheme. The flow domain is discretized into a number of interconnected control volumes located arbitrarily in space. The conservation equations for each control volume account for the transport of mass, momentum and entropy from the neighboring control volumes. In addition, they also include the sources of each conserved variable and time dependent terms. The source term of entropy equation contains entropy generation due to heat transfer and fluid friction. Thermodynamic properties are computed from the equation of state of a real fluid. The system of equations is solved by a hybrid numerical method which is a combination of simultaneous Newton-Raphson and successive substitution schemes. The paper also describes the application and verification of the procedure by comparing its predictions with the analytical and numerical solution of several benchmark problems.

Majumdar, Alok↗
DOE OSTI2025

Hydrodynamic expansion and near-infrared absorption of x-ray heated aluminum plasmas

We use x-ray pulses from dense argon plasmas at the Z Machine (Sandia National Laboratories) to generate hypersonic aluminum plasmas akin to material ejecta during proposed planetary defense missions, fusion reactor wall excursions, and other high-energy density processes. Near-infrared absorption is used to diagnose the controlled expansion of the plasmas through cylindrical cavities following their generation from x-ray heating of solid aluminum 7075 alloy. The data are compared to multidimensional radiation hydrodynamics simulations utilizing the ALEGRA multiphysics code, accounting for the dynamics of radiation scattering, material phase change, plasma expansion, thermal re-irradiation, and interactions with the cavity and with the infrared beams. To allow for accurate simulation, density functional theory is used to apply the Hagen–Rubens relation for the far-infrared and is adjoined with a detailed configuration accounting model using the Propaceos code, producing opacities spanning 10 −1 –10 4 eV photon energy for aluminum 7075 alloy, and in comparison with pure aluminum. The model is found to agree with experimental data in the higher-fluence regime when the Hagen–Rubens relation is applied. The ejected material, which is observed to travel up to 55 km/s, is comprised of a strongly ionized, non-LTE plasma front at ∼10 eV temperature followed by a weakly ionized LTE gas at higher density. The present findings lend some confidence to the broad-range equation of state and infrared opacity models for weakly ionized aluminum plasmas while demonstrating an approach to their future refinement, with potential application to astrophysical plasmas and other extreme processes.

Adiabatic process↗