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DOE OSTI2017

Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas

Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOSs) of hydrocarbons are valuable for various studies from inertial confinement fusion to planetary science. By combining path integral Monte Carlo (PIMC) results at high temperatures and density functional theory molecular dynamics results at lower temperatures, we compute the EOSs for hydrocarbons from simulations performed at 1473 separate (ρ, T)-points distributed over a range of compositions. These methods accurately treat electronic excitation effects with neither adjustable parameter nor experimental input. PIMC is also an accurate simulation method that is capable of treating many-body interaction and nuclear quantum effects at finite temperatures. These methods therefore provide a benchmark-quality EOS that surpasses that of semi-empirical and Thomas-Fermi-based methods in the warm dense matter regime. By comparing our first-principles EOS to the LEOS 5112 model for CH, we validate the specific heat assumptions in this model but suggest that the Grüneisen parameter is too large at low temperatures. Based on our first-principles EOSs, we predict the principal Hugoniot curve of polystyrene to be 2%-5% softer at maximum shock compression than that predicted by orbital-free density functional theory and SESAME 7593. By investigating the atomic structure and chemical bonding of hydrocarbons, we show a drastic decrease in the lifetime of chemical bonds in the pressure interval from 0.4 to 4 megabar. We find the assumption of linear mixing to be valid for describing the EOS and the shock Hugoniot curve of hydrocarbons in the regime of partially ionized atomic liquids. We make predictions of the shock compression of glow-discharge polymers and investigate the effects of oxygen content and C:H ratio on its Hugoniot curve. In conclusion, our full suite of first-principles simulation results may be used to benchmark future theoretical investigations pertaining to hydrocarbon EOSs and should be helpful in guiding the design of future experiments on hydrocarbons in the gigabar regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

The physics of gain relevant to inertial fusion energy target designs

In inertial confinement fusion, pellets of deuterium tritium fuel are compressed and heated to the conditions where they undergo fusion and release energy. The target gain (ratio of energy released from the fusion reactions to the energy in the drive source) is a key parameter in determining the power flow and economics of an inertial fusion energy (IFE) power plant. In this study, the physics of gain is explored for laser-direct-drive targets with driver energy at the megajoule scale. This analysis is performed with the assumption of next-generation laser technologies that are expected to increase convergent drive pressures to over 200 Mbar. This is possible with the addition of bandwidth to the laser spectrum and by employing focal-spot zooming. Simple physics arguments are used to derive scaling laws that describe target gain as a function of laser energy, adiabat, ablation pressure, and implosion velocity. Scaling laws are found for the unablated mass, ablation pressure, areal density, implosion velocity, and in-flight aspect ratio. Furthermore, those scaling laws are then used to explore the design space for IFE targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

High pressure stability of β-Zr: no evidence for isostructural phase transitions

Isostructural transitions have been reported to occur in several pure elements; however, most of these have been disproven. Zr is one of those elements which remains controversial with two reports of an isostructural bcc-to-bcc transition at ~56–60 GPa at an ambient temperature and a more recent report proposing a second bcc-to-bcc transition at 110 GPa. Here, we report a detailed experimental and theoretical study of zirconium in the pressure region of the proposed isostructural transition(s). We conducted three room temperature static compression experiments using Ne as a pressure transmitting medium up to 80 GPa. We see no evidence for an isostructural transition finding a smooth compression curve for β-Zr. We determined the theoretical volume, elastic parameters, and Poisson’s ratio for β-Zr up to 717 GPa and no obvious anomalies are identified. Furthermore, our new results join the growing body of evidence that does not find evidence of isostructural transitions in β-Zr.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Influence of chemical strains on the electrocaloric response, polarization morphology, tetragonality, and negative-capacitance effect of ferroelectric core-shell nanorods and nanowires

Using Landau-Ginzburg-Devonshire (LGD) approach, we proposed the analytical description of the influence of chemical strains on spontaneous polarization and the electrocaloric response in ferroelectric core-shell nanorods. We postulate that the nanorod core presents a defect-free single-crystalline ferroelectric material, and elastic defects are accumulated in the ultrathin shell, where they can induce tensile or compressive chemical strains. Finite-element modeling (FEM) based on the LGD approach reveals transitions of domain-structure morphology induced by chemical strains in the Ba Ti O 3 nanorods. Namely, tensile chemical strains induce and support the single-domain state in the central part of the nanorod, while the curled domain structures appear near the unscreened or partially screened ends of the rod. The vortexlike domains propagate toward the central part of the rod and fill it entirely, when the rod is covered by a shell with compressive chemical strains above some critical value. The critical value depends on the nanorod sizes, aspect ratio, and screening conditions at its ends. Both analytical theory and FEM predict that the tensile chemical strains in the shell increase the nanorod polarization, lattice tetragonality, and electrocaloric response well above the values corresponding to the bulk material. The physical reason for the increase is strong electrostriction coupling between the mismatch-type elastic strains induced in the core by chemical strains in the shell. Comparison with earlier XRD data confirmed an increase of the tetragonality ratio in tensile Ba Ti O 3 nanorods compared to the bulk material. Obtained analytical expressions, which are suitable for the description of strain-induced changes in a wide range of multiaxial ferroelectric core-shell nanorods and nanowires, can be useful for strain engineering of advanced ferroelectric nanomaterials for energy storage, harvesting, electrocaloric applications, and negative capacitance elements. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

DOE OSTI2024

Evaluation of Mechanical and Thermomechanical Water Vapor Compression Techniques for Enabling High Temperature Lift Hydration-Based Chemical Heat Pumps

Achieving high temperature lifts (>200 K) via a chemical heat pump based on salt hydration/dehydration reactions requires the transport of water vapor from low to high pressure. Alternative compression approaches require condensing of low-pressure water vapor, pumping of liquid water, and subsequent evaporation when the low-side pressure corresponds to sub-ambient water saturation temperatures. Thus, this study compares four steam compression methods for use within a chemical heat pump system based on a reversible calcium oxide hydration/dehydration reaction with a temperature lift from 350 °C heat to >600 °C. Purely mechanical and thermochemical/mechanical compression technologies are considered. A parametric study of maximum allowable temperature, the isentropic efficiency of mechanical compressors, the effectiveness of heat exchangers, and the assumed allowable heat exchanger pressure drop is conducted to determine the mechanical and thermal energy consumed per kilogram of compressed steam. The system complexity in terms of the number of main system components, maximum pressure ratio, and maximum allowable temperature is estimated. Model results show an absorption-based steam compressor has the highest exergetic efficiency for the required chemical heat pump required conditions. As a result, this system configuration was then experimentally demonstrated to illustrate the impact of system performance on component effectiveness.

Advanced reactors↗

DOE OSTI2013

Development of cement solidification process for sodium borate waste generated from PWR plants

A cement solidification process for treating sodium borate waste produced in pressurized water reactor (PWR) plants was studied. To obtain high volume reduction and high mechanical strength of the waste, simulated concentrated borate liquid waste with a sodium / boron (Na/B) mole ratio of 0.27 was dehydrated and powdered by using a wiped film evaporator. To investigate the effect of the Na/B mole ratio on the solidification process, a sodium tetraborate decahydrate reagent with a Na/B mole ratio of 0.5 was also used. Ordinary portland cement (OPC) and some additives were used for the solidification. Solidified cement prepared from powdered waste with a Na/B mole ratio 0.24 and having a high silica sand content (silica sand/cement>2) showed to improved uniaxial compressive strength. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1962

SOME RESULTS ON BUCKLING AND POSTBUCKLING OF CYLINDRICAL SHELLS

In this summary paper, the effects of initial deformations on the buckling and postbuckling characteristics of circular cylindrical shells under hydrostatic pressure is determined in an approximate manner. The influence of initial axisymmetric deformations is stressed. Also, the classical buckling of an axially compressed, noncircular (oval) cylindrical shell is studied. The results show that the major-minor axis ratio of the cross section has a marked effect on the critical load, and that use of the maximum radius of curvature in the formula for the classical buckling stress of a circular cylindrical shell leads to good results for moderate eccentricities.

BUCKLING↗

NASA NTRS1973

Shockwave-boundary layer interference heating analysis.

Interference heating correlations have been developed based on existing wind tunnel test data taken with simple configurations such as wedge/flat plate and compression corner models. For turbulent flow, peak interference heating was first correlated with shock strength (pressure ratio across shock wave) and then as a function of Reynolds number. The peak interference Stanton number was found to exhibit the same Reynolds number and Prandtl number characteristics as the Stanton number variation for undisturbed flow over a flat plate. Similar correlations were developed for laminar flow. Results indicated that for laminar flow at higher Reynolds number, the impinging shockwave may act as a boundary layer trip and cause boundary layer transition resulting in high interference heating. The correlations derived in this study can be used to scale wind tunnel model test data to a full-scale space vehicle at supersonic or hypersonic flight conditions.

Hung, F. T.↗

NASA NTRS1975

Pressure data from a 64A010 airfoil at transonic speeds in heavy gas media of ratio of specific heats from 1.67 to 1.12

A NACA 64A010 pressure-instrumented airfoil was tested at transonic speeds over a range of angle of attack from -1 to 12 degrees at various Reynolds numbers ranging from 2 to 6 million in air, argon, Freon 12, and a mixture of argon and Freon 12 having a ratio of specific heats corresponding to air. Good agreement of results is obtained for conditions where compressibility is not significant and for the air and comparable argon-Freon 12 mixture. Comparison of heavy gas results with air, when adjusted for transonic similarity, show improved, but less than desired agreement.

Gross, A. R.↗

NASA NTRS1975

Normal- and oblique-shock flow parameters in equilibrium air including attached-shock solutions for surfaces at angles of attack, sweep, and dihedral

Normal- and oblique-shock flow parameters for air in thermochemical equilibrium are tabulated as a function of shock angle for altitudes ranging from 15.24 km to 91.44 km in increments of 7.62 km at selected hypersonic speeds. Post-shock parameters tabulated include flow-deflection angle, velocity, Mach number, compressibility factor, isentropic exponent, viscosity, Reynolds number, entropy difference, and static pressure, temperature, density, and enthalpy ratios across the shock. A procedure is presented for obtaining oblique-shock flow properties in equilibrium air on surfaces at various angles of attack, sweep, and dihedral by use of the two-dimensional tabulations. Plots of the flow parameters against flow-deflection angle are presented at altitudes of 30.48, 60.96, and 91.44 km for various stream velocities.

Hunt, J. L.↗

NASA NTRS1977

Adaptive coding of MSS imagery

A number of adaptive data compression techniques are considered for reducing the bandwidth of multispectral data. They include adaptive transform coding, adaptive DPCM, adaptive cluster coding, and a hybrid method. The techniques are simulated and their performance in compressing the bandwidth of Landsat multispectral images is evaluated and compared using signal-to-noise ratio and classification consistency as fidelity criteria.

Habibi, A.↗

NASA NTRS1992

Correlation function ratios and the identification of space plasma instabilities

Wave-particle transport in a collisionless plasma is due to particle scattering by enhanced fluctuations associated with the growth of instabilities. In particular, relatively short wave-length kinetic instabilities are frequently invoked to explain many different types of plasma transport in space. Although there is an extensive theoretical and simulation literature describing the potential applications of many such instabilities, there are only a few cases of clear-cut identification of kinetic modes in space. The research described in this paper uses linear Vlasov dispersion theory to study correlation functions and dimensionless correlation function ratios for fluctuations or instabilities in three space plasma regimes. This research shows that both the compressibility and the parallel compressibility are likely to be useful in distinguishing modes in the magnetosheath as well as in the plasma sheet boundary layer and that helicity remains a useful identifier of electromagnetic ion/ion instabilities in the foreshock.

Gary, S. P.↗

NASA NTRS1993

Transient performance of fan engine with water ingestion

In a continuing investigation on developing and applying codes for prediction of performance of a turbine jet engine and its components with water ingestion during flight operation, including power settings, and flight altitudes and speed changes, an attempt was made to establish the effects of water ingestion through simulation of a generic high bypass ratio engine with a generic control. In view of the large effects arising in the air compression system and the prediffuser-combustor unit during water ingestion, attention was focused on those effects and the resulting changes in engine performance. Under all conditions of operation, whether ingestion is steady or not, it became evident that water ingestion causes a fan-compressor unit to operate in a time-dependent fashion with periodic features, particularly with respect to the state of water in the span and the film in the casing clearance space, at the exit of the machine. On the other hand, the aerodynamic performance of the unit may be considered as quasi-steady once the distribution of water has attained an equilibrium state with respect to its distribution and motion. For purposes of engine simulation, the performance maps for the generic fan-compressor unit were generated based on the attainment of a quasi-steady state (meaning steady except for long-period variations in performance) during ingestion and operation over a wide enough range of rotational speeds.

Murthy, S. N. B.↗

NASA NTRS1956

Theoretical and Experimental Investigation of the Subsonic-Flow Fields Beneath Swept and Unswept Wings with Tables of Vortex-Induced Velocities

The flow-field characteristics beneath swept and unswept wings as determined by potential-flow theory are compared with the experimentally determined flow fields beneath swept and unswept wing-fuselage combinations. The potential-flow theory utilized considered both spanwise and chordwise distributions of vorticity as well as the wing-thickness effects. The perturbation velocities induced by a unit horseshoe vortex are included in tabular form. The results indicated that significant chordwise flow gradients existed beneath both swept and unswept wings at zero lift and throughout the lift range. The theoretical predictions of the flow-field characteristics were qualitatively correct in all cases considered, although there were indications that the magnitudes of the downwash angles tended to be overpredicted as the tip of the swept wing was approached and that the sidewash angles ahead of the unswept wing were underpredicted. The calculated effects of compressibility indicated that significant increases in the chordwise variation of flow angles and dynamic-pressure ratios should be expected in going from low to high subsonic speeds.

Alford, William J., Jr.↗

NASA NTRS1957

Theoretical and Experimental Investigation of the Subsonic-Flow Fields Beneath Swept and Unswept Wings with Tables or Vortex-induced Velocities

The flow-field characteristics beneath swept and unswept wings as determined by potential-flow theory are compared with the experimentally determined flow fields beneath swept and unswept wing-fuselage combinations. The potential-flow theory utilized considered both spanwise and chordwise distributions of vorticity as well as the wing-thickness effects. The perturbation velocities induced by a unit horseshoe vortex are included in tabular form. The theoretical predictions of the flow-field characteristics were qualitatively correct in all cases considered, although there were indications that the magnitudes of the downwash angles tended to be overpredicted as the tip of the swept wing was approached and that the sidewash angles ahead of the unswept wing were underpredicted. The calculated effects of compressibility indicated that significant increases in the chordwise variation of flow angles and dynamic-pressure ratios should be expected in going from low to high subsonic speeds.

Alford, William J , Jr↗

NASA NTRS2002

Chandra Imaging of the X-Ray Nebula Powered by Pulsar B1509-58

We present observations with the Chandra X-Ray Observatory of the pulsar wind nebula (PWN) powered by the energetic young pulsar B1509-58. These data confirm the complicated morphology of the system indicated by previous observations, and in addition reveal several new components to the nebula. The overall PWN shows a clear symmetry axis oriented at a position angle 150" +- 5" (north through east), which we argue corresponds to the pulsar spin axis. We show that a previously identified radio feature matches well with the overall extent of the X-ray PWN, and propose the former as the long-sought radio nebula powered by the pulsar. We further identify a bright collimated feature, at least 4' long, lying along the nebula's main symmetry axis; we interpret this feature as a physical outflow from the pulsar, and infer a velocity for this jet of greater than 0.2c. The lack of any observed counterjet implies that the pulsar spin axis is inclined at -30" to the line of sight, contrary to previous estimates made from lower resolution data. We also identify a variety of compact features close to the pulsar. A pair of semicircular X-ray arcs lie 17" and 30" to the north of the pulsar; the latter arc shows a highly polarized radio counterpart. We show that these features can be interpreted as ion compression wisps in a particle-dominated equatorial flow, and use their properties to infer a ratio of electromagnetic to particle energy in pairs at the wind shock 0.005, similar to that seen in the Crab Nebula. We further identify several compact knots seen very close to the pulsar; we use these to infer cr < 0.003 at a separation from the pulsar of 0.1 pc.

Gaensler, B. M.↗

NASA NTRS1985

Hot-Wire Probe for Compressible Subsonic Flow

Probe measures velocity, density, and total temperature fluctuations. Three-wire probe used with each wire operating at different overheat ratio. Technique extendable into transonic and low supersonic flow regimes without difficulty except for those problems usually associated with lengthy calibration and possible wire breaking.

Stainback, P. C.↗

DOE OSTI2018

Exploiting negative Poisson's ratio to design 3D-printed composites with enhanced mechanical properties

Auxetic materials exhibiting a negative Poisson's ratio are shown to have better indentation resistance, impact shielding capability, and enhanced toughness. Here, we report a class of high-performance composites in which auxetic lattice structures are used as the reinforcements and the nearly incompressible soft material is employed as the matrix. This coupled geometry and material design concept is enabled by the state-of-the-art additive manufacturing technique. Guided by experimental tests and finite element analyses, we systematically study the compressive behavior of the 3D printed auxetics reinforced composites and achieve a significant enhancement of their stiffness and energy absorption. This improved mechanical performance is due to the negative Poisson's ratio effect of the auxetic reinforcements, which makes the matrix in a state of biaxial compression and hence provides additional support. This mechanism is further supported by the investigation of the effect of auxetic degree on the stiffness and energy absorption capability. The findings reported here pave the way for developing a new class of auxetic composites that significantly expand their design space and possible applications through a combination of rational design and 3D printing.

36 MATERIALS SCIENCE↗