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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Volatility of sodium, potassium, and cesium perrhenates determined by thermogravimetry

Here, in this study, we investigated the volatility of sodium, potassium, and cesium perrhenates using thermogravimetry (TG) performed on single salts and their binary mixed salts. We performed simultaneous TG and differential scanning calorimetry under a ramp heating condition at 10°C/min up to 1200°C to characterize volatilization behavior as a function of temperature. We also performed isothermal TG over a temperature range of 700 to 975°C to estimate the vapor pressures of the alkali perrhenates based on a modified Langmuir equation that relates the rate of free evaporation from the open surface to vapor pressure. In this paper, we discuss the results of our study on the temperature of evaporation and temperature-dependent vapor pressure of sodium, potassium, and cesium perrhenates in relation to rhenium volatilization behavior observed during melting of simulated waste glass.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Molecular Origin of Wettability Alteration of Subsurface Porous Media upon Gas Pressure Variations

Upon extraction/injection of a large quantity of gas from/into a subsurface system in shale gas production or carbon sequestration, the gas pressure varies remarkably, which may significantly change the wettability of porous media involved. Mechanistic understanding of such changes is critical for designing and optimizing a related subsurface engineering process. Using molecular dynamics simulations, in this work we have calculated the contact angle of a water droplet on various solid surfaces (kerogen, pyrophyllite, calcite, gibbsite, and montmorillonite) as a function of CO 2 or CH 4 gas pressure up to 200 atm at a temperature of 300 K. The calculation reveals a complex behavior of surface wettability alteration by gas pressure variation depending on surface chemistry and structure, and molecular interactions of fluid molecules with surfaces. As the CO 2 gas pressure increases, a partially hydrophilic kerogen surface becomes highly hydrophobic, while a calcite surface becomes more hydrophilic. Considering kerogen and calcite being the major components of a shale formation, we postulate that the wettability alteration of a solid surface induced by a gas pressure change may play an important role in fluid flows in shale gas production and geological carbon sequestration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Thermal stresses in a spherical pressure vessel having temperature-dependent, transversely isotropic, elastic properties

Rayleigh-Ritz and modified Rayleigh-Ritz procedures are used to construct approximate solutions for the response of a thick-walled sphere to uniform pressure loads and an arbitrary radial temperature distribution. The thermoelastic properties of the sphere are assumed to be transversely isotropic and nonhomogeneous; variations in the elastic stiffness and thermal expansion coefficients are taken to be an arbitrary function of the radial coordinate and temperature. Numerical examples are presented which illustrate the effect of the temperature-dependence upon the thermal stress field. A comparison of the approximate solutions with a finite element analysis indicates that Ritz methods offer a simple, efficient, and relatively accurate approach to the problem.

Tauchert, T. R.↗
NASA NTRS1978

Anemometers STRATCOM 8-A

The wind anemometer is based on the use of bead thermistors exposed to the air flow and operated in a constant temperature mode. Matched thermistor pairs operating at different temperatures are used to eliminate the dependence on ambient temperature and pressure. Air density dependence is accounted for by the use of an enclosed reference pair of thermistors. At pressures lower than 10 mm Hz, the reference pair may serve as densitometer. Calibration is based on the measurement of the difference in thermistor power as a function of Reynolds number by varying wind speed and density.

Mcdonald, C.↗
NASA NTRS1984

Collisional narrowing effects in the Raman Q-branch spectral profiles of N2, CO, and NO

A description is presented of coherent Raman spectroscopic studies of N2, CO, and NO molecules. It is pointed out that the Q-branch Raman spectra of these simple diatomics are characterized by lines which overlap with increasing pressure as a result of collisional line broadening. Attention is given to Q-branch vibrational spectra and their determination, the spectral line shape of isolated lines, the line overlap regime, fitting laws, and the isotropic Raman spectrum of NO. It is found that the room temperature spectra of the considered molecules at low pressure (approximately 0.2 atm) may be treated as a sum of isolated lines. It is possible to extract J-dependent pressure-broadening coefficients. With increasing pressure, collisional narrowing occurs and the description of the spectrum must include the effects of interference among neighboring lines.

Hurst, W. S.↗
NASA NTRS1989

Three-Position Cryogenic Actuator

Linear actuator set at one of three positions by supplying gas at suitable pressure. Designed for use as part of relief valve in system storing liquid oxygen. Stops at any of three positions, depending on pressure at supply port. Seals made of polytetrafluorethylene for low friction at low temperatures. Use of polytetrafluoroethylene and large clearances reduces friction and makes possible operating over range of temperatures from -420 to 250 degree F (-251 to 121 degree C).

Allen, Peter B.↗
NASA NTRS2011

Method for shaping sheet thermoplastic and the like

Processes and apparati for shaping sheet glass or thermoplastic materials use force from a layer of a flowing fluid, such as air, between the sheet and a mandrel at close to the softening temperature of the thermoplastic. The shape is preserved by cooling. The shape of the air bearing mandrel and the pressure distribution of the fluid contribute to the final shape. A process can be conducted on one or two surfaces such that the force from the air layer is on one or two surfaces of the sheet. The gap size between the sheet and mandrel determines the pressure profile in the gap, which also determines the final sheet shape. In general, smaller gaps lead to larger viscous forces. The pressure profile depends on the shape of the mandrel, the size of the fluid gap and the sheet and the fluid supply pressure.

Akilian, Mireille K.↗
DOE OSTI2025

High-Pressure Effects on an Octa-Hydrated Curium Complex: An Experimental and Theoretical Investigation

An octa-hydrated curium compound [Cm(H 2 O) 8 ](Hdtp)(dtp)·H 2 O (Cm1,H 2 dtp = 2,3-di(tetrazol-5-yl)pyrazine) along with its lanthanide analogues [Ln(H 2 O) 8 ](Hdtp)-(dtp)·H 2 O (Ln1, Ln 3+ = La 3+ –Nd 3+ , Sm 3+ –Lu 3+ ) were synthesized and characterized using single crystal X-ray diffraction and spectroscopic methods. Bond length analysis of VIII Cm(III)–OH 2 (where VIII refers to the coordination number) was compared to VIII Ln(III)–OH 2 (Ln 3+ = Nd 3+ and Sm 3+ ), indicating similar VIII M(III)–OH 2 bond lengths owing to the similar eight-coordinate ionic radii of these VIII M(III) cations. Owing to the reduced coordination number, the VIII Cm(III)–OH 2 bond lengths were shorter than previously reported IX Cm(III)–OH 2 bonds in [Cm(H 2 O) 9 ](CF 3 SO 3 ) 3 . The octa-aquo complexes were also characterized by solid-state UV–vis–NIR spectroscopy in addition to variable-temperature and variable-pressure photoluminescence. Variable-pressure absorption spectra of Cm1 were compared with Ln1 and show that the Cm(III) f → f transitions have a stronger dependence on pressure than that observed in Ln1 (Ln 3+ = Nd 3+ and Sm 3+ ). The experimental and computational analyses reveal that the monotonic decrease in the computed energy difference between the ground state and the first excited state corresponds to the observed red shift of the photoluminescence peak. This is accompanied by a gradual reduction in the average Cm(III)–OH 2 bond length and a delocalization of spin densities, alongside an intensified interaction involving the 5f orbitals under increasing pressure. Furthermore, these changes accommodate the new geometry and collectively modify the energy landscape, resulting in peak broadening and quenching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

High Pressure–Temperature Study of MgF 2 , CaF 2 , and BaF 2 by Raman Spectroscopy: Phase Transitions and Vibrational Properties of AF 2 Difluorides

The phase transition of AF 2 difluorides strongly depends on pressure, temperature, and cationic radius. Here, we have investigated the phase transition of three difluorides, including MgF 2 , CaF 2 , and BaF 2 , at simultaneously high pressures and temperatures using Raman spectroscopy and X-ray diffraction in externally heated diamond anvil cells up to 55 GPa at 300–700 K. Rutile-type difluoride MgF 2 with a small cationic radius undergoes a transition to the CaCl 2 -type phase at 9.9(1) GPa and 300 K, to the HP-PdF 2 -type phase at 21.0(2) GPa, and to the cotunnite-type phase at 44.2(2) GPa. The phase transition pressure to the HP-PdF 2 and cotunnite structure at 300 K for our single crystal was found to be higher than that in previous studies using polycrystalline samples. Elevating the temperature increases the transition pressure from rutile- to the CaCl 2 -type phase but has a negative influence on the transition pressure when MgF 2 transforms from the HP-PdF 2 - to cotunnite-type phase. Meanwhile, the transition pressure from the CaCl 2 - to HP-PdF 2 -type phase for MgF 2 was identified to be independent of the temperature. Raman peaks suspected to belong to the α-PbO 2 -type phase were observed at 14.6–21.0(1) GPa and 400–700 K. At 300 K, difluorides CaF 2 and BaF 2 in the fluorite structure with larger cationic radii transform to the cotunnite-type phase at 9.6(3) and 3.0(3) GPa at 300 K, respectively, and BaF 2 further undergoes a transition to the Ni 2 In-type phase at 15.5(4) GPa. For both CaF 2 and BaF 2 , elevating the temperature leads to a lower transition pressure from fluorite- to the cotunnite-type phase but has little influence on the transition to the Ni 2 In structure. Raman data provide valuable insights for mode Grüneisen parameters. We note that the mode Grüneisen parameters for both difluorides and dioxides vary linearly with the cation radius. Further calculations for the mode Grüneisen parameters at high pressures for MgF 2 , CaF 2 , and BaF 2 yield a deeper understanding of the thermodynamic properties of the difluorides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An Improved Model For Determining Salinity Recharge Time for Deep Borehole Disposal - 20405

In a previous publication (K. P. Travis, D. Burley and F. G. F. Gibb, WM2017 Conference, Phoenix Arizona paper no. 17480) we introduced a numerical model to estimate the time it would take for a pressure perturbation to subside following its creation from the construction of a deep geological borehole in water-saturated rock. The model was based on the notion of a point source of momentum - a solution of the time-dependent pressure-diffusion equation. Using the model, we estimated that it would take on the order of 10 k years for physical equilibrium to become re-established following the sinking of a 5 km borehole in granite. The significance of such a model is that it places an upper bound on the lifetime required of a borehole sealing system - a necessary input to a borehole post-closure safety case assessment. No engineered sealing system has ever been devised which is capable of retaining its sealing properties for 10 half-lives of long-lived radioisotopes in spent fuel or high-level waste. One of the key advantages of disposing of nuclear waste via Deep Borehole Disposal (DBD) is the natural sealing provided by density stratified groundwater. Upon sinking of a borehole, and subsequent filling with fresh water, brine or drilling mud, this natural barrier may be temporarily damaged. Over time, fresh brine from the far-field will flow towards or away from the hole (driven by a pressure gradient) and will eventually re-establish the original salinity gradient. It follows that the engineered seals need last only as long as the time required for this salinity gradient to reset itself. One of the limitations of our previous model was the use of a static boundary condition on the borehole wall. The model used a boundary pressure which varied quadratically with depth (arising from differences between the pressure of a column of fresh water in the borehole and that of a column of brine in the host rock). However as brine replaces fresh water in the borehole (driven by a pressure gradient), the boundary function must change with time. We now introduce an improved model which takes this time dependent boundary condition into account. The model also takes into account the time taken for a mixture of brine and fresh water to re-establish chemical equilibrium through the process of diffusion. The paper contains the mathematical details of our new iterative model as well as results showing the time taken to reach steady state, and concentration profiles for the components of the brine-filled borehole as a function of time together with a discussion on the implications of the results for developing a post-closure safety assessment for DBD. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Structures of elemental potassium at terapascal pressures

Here we investigate the pressure-temperature phase diagram of elemental potassium (K) up to multiterapascal (TPa) pressures using ab initio random structure searching (AIRSS), discovering eight structural phase transitions beyond the already known double hexagonal close-packed (dhcp) structure. Starting at 1.15 TPa, K transitions from the dhcp structure and passes through a variety of close-packed hexagonal and trigonal phases (dhcp → P6 3 /mmc → P3m1 → P$\bar{6}m2$), which differ only in their stacking sequence along the c axis. At 2.55 TPa, K adopts the hexagonal close-packed (hcp) structure, and at 7.21 TPa transitions into a complex orthorhombic phase of Fddd symmetry with 64 atoms in its (conventional) unit cell, before assuming an Ibam structure at 8.60 TPa, and, eventually, the face centered cubic (fcc) structure at 23.6 TPa, which persists well into the petapascal (PPa) regime. Further, we calculate the full pressure-temperature dependence of the melting line of K through extensive molecular dynamics simulations. We study the evolution of the bonding topology of K with pressure, finding that K passes through two quasi-molecular phases featuring diatomic pairs (the Fddd and Ibam structures), before ultimately becoming a high pressure electride (HPE) in the fcc phase. The electron-phonon and superconducting properties of K at these extreme pressures are also investigated, where we find the critical temperature T c rises to a maximum of between 7.65 K and 15.70 K in the hcp phase, before eventually decreasing to essentially zero in the fcc phase. Our results fully elucidate the structural and electronic behavior of K under the most extreme conditions, and provide new case studies for multi-TPa dynamic compression experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1979

Ultrasonic attenuation and velocity in AS/3501-6 graphite/epoxy fiber composite

The ultrasonic group velocity and attenuation were measured as a function of frequency for longitudinal and shear waves in the epoxy matrix (3501-6) and in the principal directions of the unidirectional graphite/epoxy composite (AS/3501-6). Tests were conducted in the frequency ranges 0.25 Mz to 14 MHz and 0.5 Mz to 3 MHz for longitudinal and shear wave modes, respectively. The attenuation increased with frequency for all wave modes, but the group velocity was independent of frequency for all wave modes. The effects of pressure and couplant at the transducer-specimen interface were studied and it was found that for each transducer type there exists a frequency dependent 'saturation pressure' corresponding to the maximum output signal amplitude.

Williams, J. H., Jr.↗
DOE OSTI2024

The Surface Chemistry of Methanol on Pd(111) and H–Pd(111) Surfaces: C–O Bond Cleavage and the Effects of Metal Hydride Formation

Palladium catalysts are frequently employed in processes where methanol is an energy vector or carrier, being useful for the synthesis of methanol from mixtures of carbon dioxide and hydrogen (CO 2 /H 2 ) or its steam reforming on demand. Results of synchrotron-based ambient pressure X-ray photoelectron spectroscopy for the adsorption of methanol on a Pd(111) model catalyst show a rich surface chemistry and complex phenomena that strongly depend on pressure and temperature. At low pressures (< 10 -6 Torr) and temperatures (< 300 K), CO is the dominant decomposition product. Further, as the pressure increases, cleavage of C-H, O-H and C-O bonds is observed, and at elevated temperatures (400-600 K) the formation of CO and CH x /C fragments compete on the surface. Thus, existing reaction networks for methanol decomposition must be modified. Furthermore, surface and subsurface hydrogen (coming from PdH x ) play a significant role in the stability and removal of CH x and C species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Pressure-Induced Spectroscopic Changes in a Californium 1D Material Are Twice as Large as Found in the Holmium Analog

Here, in this study, the synthesis, characterization, and pressure response of a 1D californium mellitate (mellitate = 1,2,3,4,5,6-benzenehexacarboxylate) coordination polymer, Cf 2 (mell)(H 2 O) 10 ·4H 2 O (Cf-1), are reported. The Cf–O lengths within the crystal structure are compared to its gadolinium (Gd-1) and holmium (Ho-1) analogs as well. These data show that the average Cf–O bond distance is slightly longer than the average Gd–O bond, consistent with trends in effective ionic radii. UV–vis-NIR absorption spectra as a function of pressure were collected using diamond-anvil techniques for both Cf-1 and Ho-1. These experiments show that the Cf(III) f → f transitions have a stronger dependence on pressure than that of the holmium analog. In the former case, the shift is nearly linear with applied pressure and averages 6.6 cm –1 /GPa, whereas in the latter, it is <3 cm –1 /GPa.

absorption spectroscopy↗
DOE OSTI2021

Ultraviolet spectroscopy of pressurized and supercritical carbon dioxide

Abstract Carbon dioxide (CO 2 ) is prevalent in planetary atmospheres and sees use in a variety of industrial applications. Despite its ubiquitous nature, its photochemistry remains poorly understood. In this work we explore the density dependence of pressurized and supercritical CO 2 electronic absorption spectra by vacuum ultraviolet spectroscopy over the wavelength range 1455-2000 Å. We show that the lowest absorption band transition energy is unaffected by a density increase up to and beyond the thermodynamic critical point (137 bar, 308 K). However, the diffuse vibrational structure inherent to the spectrum gradually decreases in magnitude. This effect cannot be explained solely by collisional broadening and/or dimerization. We suggest that at high densities close proximity of neighboring CO 2 molecules with a variety of orientations perturbs the multiple monomer electronic state potential energy surfaces, facilitating coupling between binding and dissociative states. We estimate a critical radius of ~4.1 Å necessary to cause such perturbations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Pressure oscillation in the leakage annulus between a shrouded impeller and its housing due to impeller-discharge-pressure disturbances

The perturbed flow in the leakage path between a shrouded-pump impeller and its housing is analyzed using experiences with the Space Shuttle Main Engine (SSME), high pressure fuel turbopump (HPFTP) wearing-ring seals. Analysis is based on a bulk-flow model which consists of the path-momentum, circumferential momentum, and continuity equations. The pressure oscillations in the leakage annulus are driven by a circumferential variation of the impeller discharge pressure. It is shown that the occurrence and nature of the pressure oscillations depend on the tangential-velocity ratio of the fluid entering the seal, the order of the Fourier coefficient, the closeness of the precessional frequency of the rotating pressure field to the first natural frequency of the fluid annulus, and the clearance of the wearing-ring seal. The results obtained may explain the internal melting observed on SSME HPFTP seal parts.

Childs, D. W.↗
NASA NTRS2015

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part II: Nonlinear Theory and Extended Aerodynamics

Conical shell theory and a supersonic potential flow aerodynamic theory are used to study the nonlinear pressure buckling and aeroelastic limit cycle behavior of the thermal protection system for NASA's Hypersonic Inflatable Aerodynamic Decelerator. The structural model of the thermal protection system consists of an orthotropic conical shell of the Donnell type, resting on several circumferential elastic supports. Classical Piston Theory is used initially for the aerodynamic pressure, but was found to be insufficient at low supersonic Mach numbers. Transform methods are applied to the convected wave equation for potential flow, and a time-dependent aerodynamic pressure correction factor is obtained. The Lagrangian of the shell system is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the governing differential-algebraic equations of motion. Aeroelastic limit cycle oscillations and buckling deformations are calculated in the time domain using a Runge-Kutta method in MATLAB. Three conical shell geometries were considered in the present analysis: a 3-meter diameter 70 deg. cone, a 3.7-meter 70 deg. cone, and a 6-meter diameter 70 deg. cone. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD. Though agreement between theoretical and experimental strains was poor, the circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With Piston Theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. The effect of axial tension was studied for this configuration, and increasing tension was found to decrease the limit cycle amplitudes when the circumferential elastic supports were neglected, but resulted in more complex behavior when the supports were included. The nominal flutter dynamic pressure of the 3.7-meter configuration was significantly lower than that of the 3-meter, and it was found that two sets of natural modes coalesce to flutter modes near the same dynamic pressure. This resulted in a significant drop in the limit cycle frequencies at higher dynamic pressures, where the flutter mode with the lower frequency becomes more critical. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with Piston Theory alone. The maximum dynamic pressure predicted by aerodynamic simulations of a proposed 3.7-meter HIAD vehicle was still lower than any of the calculated flutter dynamic pressures, suggesting that aeroelastic effects for this vehicle are of little concern.

Goldman, Benjamin D.↗
NASA NTRS1983

Time-dependent response of filamentary composite spherical pressure vessels

A filamentary composite spherical pressure vessel is modeled as a pseudoisotropic (or transversely isotropic) composite shell, with the effects of the liner and fill tubes omitted. Equations of elasticity, macromechanical and micromechanical formulations, and laminate properties are derived for the application of an internally pressured spherical composite vessel. Viscoelastic properties for the composite matrix are used to characterize time-dependent behavior. Using the maximum strain theory of failure, burst pressure and critical strain equations are formulated, solved in the Laplace domain with an associated elastic solution, and inverted back into the time domain using the method of collocation. Viscoelastic properties of HBFR-55 resin are experimentally determined and a Kevlar/HBFR-55 system is evaluated with a FORTRAN program. The computed reduction in burst pressure with respect to time indicates that the analysis employed may be used to predict the time-dependent response of a filamentary composite spherical pressure vessel.

Dozier, J. D.↗