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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1975

Infrared spectroscopy of Comet Kohoutek

Interferometry observations from 90-in. and 61-in. telescopes tracking the Comet Kohoutek are summarized. Laboratory reflection studies of ices potentially useful for future cometary work were conducted. The frosts studied included: H2O, CO2 NH3, H2S, CH4, NH4HS, and ammonia polysulfide. The frost spectra show remarkable changes with the temperatures, particularly in the case of hydrogen sulfide. Additional analysis found the variation in the H2S ice spectrum to be due to a phase change from a low temperature tetragonal unit cube to a higher temperature face-centered cubic structure. The spectra data indicate that if frost spectra are required for comparison with observed cometary or planetary absorption, the temperature of the frost must be matched.

Fink, U.↗
NASA NTRS1993

Three-dimensional mantle dynamics with an endothermic phase transition

3D convection for the spinel to perovskite phase change has been simulated numerically. Results for Rayleigh (Ra) numbers of 0(10 exp 6) show intermittent layering with a strong robust plume rising through the phase boundary. Many descending instabilities are deflected but merging cold sheets come together at a junction. A pool of cold material accumulates underneath in the phase-transition zone. A strong gravitational instability results, which precipitates a rapid and massive discharge of upper-mantle material.

Honda, S.↗
DOE OSTI2024

Reversible non-volatile electronic switching in a near-room-temperature van der Waals ferromagnet

Abstract Non-volatile phase-change memory devices utilize local heating to toggle between crystalline and amorphous states with distinct electrical properties. Expanding on this kind of switching to two topologically distinct phases requires controlled non-volatile switching between two crystalline phases with distinct symmetries. Here, we report the observation of reversible and non-volatile switching between two stable and closely related crystal structures, with remarkably distinct electronic structures, in the near-room-temperature van der Waals ferromagnet Fe 5− δ GeTe 2 . We show that the switching is enabled by the ordering and disordering of Fe site vacancies that results in distinct crystalline symmetries of the two phases, which can be controlled by a thermal annealing and quenching method. The two phases are distinguished by the presence of topological nodal lines due to the preserved global inversion symmetry in the site-disordered phase, flat bands resulting from quantum destructive interference on a bipartite lattice, and broken inversion symmetry in the site-ordered phase.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Equation of state and strength of diamond in high-pressure ramp loading

Diamond is used extensively as a component in high-energy-density experiments, but existing equation of state (EOS) models do not capture its observed response to dynamic loading. In particular, in contrast with first-principles theoretical models of equilibrium multiphase EOS, no solid-solid phase changes have been detected, and no general-purpose EOS models match the measured ambient isotherm. We have performed density functional theory (DFT) calculations of the diamond phase to ~10 TPa, well beyond its predicted range of thermodynamic stability, and used these results as the basis of a Mie-Grüneisen EOS. We also performed DFT calculations of the elastic moduli, and calibrated an algebraic elasticity model for use in simulations. We then estimated the flow stress of diamond by comparison with the stress-density relation measured experimentally in ramp-loading experiments. Furthermore, the resulting constitutive model allows us to place a constraint on the Taylor-Quinney factor (the fraction of plastic work converted to heat) from the observation that diamond does not melt on ramp compression.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Encoding multistate charge order and chirality in endotaxial heterostructures

Abstract High-density phase change memory (PCM) storage is proposed for materials with multiple intermediate resistance states, which have been observed in 1 T -TaS 2 due to charge density wave (CDW) phase transitions. However, the metastability responsible for this behavior makes the presence of multistate switching unpredictable in TaS 2 devices. Here, we demonstrate the fabrication of nanothick verti-lateral H -TaS 2 /1 T -TaS 2 heterostructures in which the number of endotaxial metallic H -TaS 2 monolayers dictates the number of resistance transitions in 1 T -TaS 2 lamellae near room temperature. Further, we also observe optically active heterochirality in the CDW superlattice structure, which is modulated in concert with the resistivity steps, and we show how strain engineering can be used to nucleate these polytype conversions. This work positions the principle of endotaxial heterostructures as a promising conceptual framework for reliable, non-volatile, and multi-level switching of structure, chirality, and resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Stabilized Aluminum Titanate

Stable, potentially-inexpensive, cubic crystalline alpha aluminum titanate that shows no phase change to 1,700 K used in heat exchangers. Particular stabilizing species must be selected with careful attention to crystal dimensions and bond angles of alpha and beta phases of aluminum titanate.

Schroeder, J. E.↗
DOE OSTI2024

Assessment of uranium nitride interatomic potentials

Uranium mononitride (UN) is a promising nuclear fuel due to its high fissile density, high thermal conductivity, and suitability for reprocessing. In this study, two uranium nitride interatomic potentials are assessed: Tseplyaev and Starikov's angular-dependent potential and Kocevski et al.'s embedded atom model potential. Predictions of the thermophysical and elastic properties of UN, UN 2 , and α- and β-U 2 N 3 computed using both potentials are assessed and compared to available experimental data. Notably, the Tseplyaev potential performs better with the energetic aspects of UN, e.g., specific heat capacity and point defect formation energies, whereas the Kocevski potential performs better with the structural aspects of UN, e.g., thermal expansion as well as with the elastic properties. The reasons why the Kocevski potential underestimates the UN specific heat are explained by examining the UN phonon properties modeled using both potentials. The Kocevski potential shows better identification of the mechanical stability ranges of UN, UN 2 , and α- and β-U 2 N 3 , reasonably predicting the melting point of UN and predicting stable structures for UN 2 and α- and β-U 2 N 3 . On the other hand, the Tseplyaev potential predicts a premature phase change of both UN and UN 2 and cannot stabilize α- nor β-U 2 N 3 . However, the Kocevski potential cannot predict a stable α-U phase and is thus not suitable for the calculation of formation energies for non-stoichiometric point defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1979

Metastable sound speed in gas-liquid mixtures

A new method of calculating speed of sound for two-phase flow is presented. The new equation assumes no phase change during the propagation of an acoustic disturbance and assumes that only the total entropy of the mixture remains constant during the process. The new equation predicts single-phase values for the speed of sound in the limit of all gas or all liquid and agrees with available two-phase, air-water sound speed data. Other expressions used in the two-phase flow literature for calculating two-phase, metastable sound speed are reviewed and discussed. Comparisons are made between the new expression and several of the previous expressions -- most notably a triply isentropic equation as used, a triply isentropic equation as used, among others, by Karplus and by Wallis. Appropriate differences are pointed out and a thermodynamic criterion is derived which must be satisfied in order for the triply isentropic expression to be thermodynamically consistent. This criterion is not satisfied for the cases examined, which included two-phase nitrogen, air-water, two-phase parahydrogen, and steam-water. Consequently, the new equation derived is found to be superior to the other equations reviewed.

Bursik, J. W.↗
NASA NTRS1979

Thermal and other tests of photovoltaic modules performed in natural sunlight

The nominal operating cell temperature (NOCT), an effective way to characterize the thermal performance of a photovoltaic module in natural sunlight, is developed. NOCT measurements for more than twenty different modules are presented. Changes in NOCT reflect changes in module design, residential roof mounting, and dirt accumulation. Other test results show that electrical performance is improved by cooling modules with water and by use of a phase change wax. Electrical degradation resulting from the marriage of photovoltaic and solar water heating modules is demonstrated. Cost-effectiveness of each of these techniques is evaluated.

Stultz, J. W.↗
NASA NTRS1996

Analysis of Two-Phase Flow in Damper Seals for Cryogenic Turbopumps

Cryogenic damper seals operating close to the liquid-vapor region (near the critical point or slightly su-cooled) are likely to present two-phase flow conditions. Under single phase flow conditions the mechanical energy conveyed to the fluid increases its temperature and causes a phase change when the fluid temperature reaches the saturation value. A bulk-flow analysis for the prediction of the dynamic force response of damper seals operating under two-phase conditions is presented as: all-liquid, liquid-vapor, and all-vapor, i.e. a 'continuous vaporization' model. The two phase region is considered as a homogeneous saturated mixture in thermodynamic equilibrium. Th flow in each region is described by continuity, momentum and energy transport equations. The interdependency of fluid temperatures and pressure in the two-phase region (saturated mixture) does not allow the use of an energy equation in terms of fluid temperature. Instead, the energy transport is expressed in terms of fluid enthalpy. Temperature in the single phase regions, or mixture composition in the two phase region are determined based on the fluid enthalpy. The flow is also regarded as adiabatic since the large axial velocities typical of the seal application determine small levels of heat conduction to the walls as compared to the heat carried by fluid advection. Static and dynamic force characteristics for the seal are obtained from a perturbation analysis of the governing equations. The solution expressed in terms of zeroth and first order fields provide the static (leakage, torque, velocity, pressure, temperature, and mixture composition fields) and dynamic (rotordynamic force coefficients) seal parameters. Theoretical predictions show good agreement with experimental leakage pressure profiles, available from a Nitrogen at cryogenic temperatures. Force coefficient predictions for two phase flow conditions show significant fluid compressibility effects, particularly for mixtures with low mass content of vapor. Under these conditions, an increase on direct stiffness and reduction of whirl frequency ratio are shown to occur. Prediction of such important effects will motivate experimental studies as well as a more judicious selection of the operating conditions for seals used in cryogenic turbomachinery.

Arauz, Grigory L.↗
DOE OSTI2024

Direct Air Capture of CO 2 via Reactive Crystallization

Atmospheric CO 2 removal using engineered chemical processes, aka direct air capture (DAC), has become an essential component of our available portfolio for mitigating climate change. Here we describe a promising approach to DAC based on reactive crystallization of atmospheric CO 2 (RC-DAC) with aqueous guanidine and amino acid. Compared to the previously studied phase-changing DAC processes involving initial CO 2 absorption by an aqueous alkaline solvent followed by carbonate crystallization in a second step, RC-DAC combines the CO 2 absorption and carbonate crystallization into a single step. Thus, as the insoluble carbonate salts are removed from solution by crystallization, more CO 2 is pulled from the air into solution, further driving the DAC process. The RC-DAC was performed in a household humidifier as the air–liquid contactor, which can handle solid–liquid slurries effectively. The crystallization was monitored in situ by pH measurements, real-time imaging with a microscope probe, and by Raman spectroscopy, and ex situ by NMR spectroscopy, powder X-ray diffraction, and total inorganic carbonate analysis. Further, the investigation provided a detailed mechanistic picture of the RC-DAC process, involving formation of carbamate and carbonate anions in solution, followed by sequential crystallization of different guanidinium carbonate phases.

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

Lattice Boltzmann Modeling of Drying of Porous Media Considering Contact Angle Hysteresis

Drying of porous media is governed by a combination of evaporation and movement of the liquid phase within the porous structure. Contact angle hysteresis induced by surface roughness is shown to influence multi-phase flows, such as contact line motion of droplet, phase distribution during drainage and coffee ring formed after droplet drying in constant contact radius mode. However, the influence of contact angle hysteresis on liquid drying in porous media is still an unanswered question. Lattice Boltzmann model (LBM) is an advanced numerical approach increasingly used to study phase change problems including drying. In this paper, based on a geometric formulation scheme to prescribe contact angle, we implement a contact angle hysteresis model within the framework of a two-phase pseudopotential LBM. The capability and accuracy of prescribing and automatically measuring contact angles over a large range are tested and validated by simulating droplets sitting on flat and curved surfaces. Afterward, the proposed contact angle hysteresis model is validated by modeling droplet drying on flat and curved surfaces. Then, drying of two connected capillary tubes is studied, considering the influence of different contact angle hysteresis ranges on drying dynamics. Finally, the model is applied to study drying of a dual-porosity porous medium, where phase distribution and drying rate are compared with and without contact angle hysteresis. The proposed model is shown to be capable of dealing with different contact angle hysteresis ranges accurately and of capturing the physical mechanisms during drying in different porous media including flat and curved geometries.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Stratospheric ozone variations in the equatorial region as seen in Stratiospheric Aerosol and Gas Experiment data

An analysis is made of equatorial ozone variations for 5 years, 1984-1989, using the ozone profile data derived from the Stratospheric Aerosol and Gas Experiment II (SAGE II) instrument. Attention is focused on the annual cycle and also on interannual variability, particularly the quasi-biennial oscillation (QBO) and El Nino-Southern Oscillation (ENSO) variations in the lower stratosphere, where the largest contribution to total column ozone takes place. The annual variation in zonal mean total ozone around the equator is composed of symmetric and asymmetric modes with respect to the equator, with maximum contributions being around 19 km for the symmetric mode and around 25 km for the asymmetric mode. The persistent zonal wavenumber 1 structure observed by the total ozone mapping spectrometer over the equator is almost missing in the SAGE-derived column amounts integrated in the stratosphere, suggesting a significant contribution from tropospheric ozone. Interannual variations in the equatorial ozone are dominated by the QBO above 20 km and the ENSO-related variation below 20 km. The ozone QBO is characterized by zonally uniform phase changes in association with the zonal wind QBO in the equatorial lower stratosphere. The ENSO-related ozone variation consists of both the east-west vacillation and the zonally uniform phase variation. During the El Nino event, the east-west contrast with positive (negative) deviations in the eastern (western) hemisphere is conspicuous, while the decreasing tendency of the zonal mean values is maximum at the same time.

Shiotani, Masato↗
NASA NTRSDate not supplied

Cryogenic Flow Boiling Parabolic Flight Experiment and Universal Correlations for Cryogens

Cryogenic fluids are employed in many industries and play crucial roles in space applications, including nuclear thermal propulsion systems, LOX/LCH4 ascent and descent stage feedlines, LOX/LH2 transfer lines for in-space fuel depots, and LHe transfer lines that cool space experiments. Due to the ultra-low boiling point of cryogens, phase change is inevitable in these systems, which leads to complex boiling behavior in reduced gravity. For cost-effective design and sizing of the aforementioned systems, accurate knowledge of two-phase parameters such as pressure drop, heat transfer coefficient (HTC), and critical heat flux (CHF) is desired. Since 2018, researchers from Purdue University and NASA Glenn Research Center (GRC) have been collaborating to investigate the effects of reduced gravity on cryogenic pool boiling, flow boiling ins tubes, and spray cooling. Using a variety of both terrestrial and parabolic flight experimental rigs, extensive LN2 data have been amassed and combined with cryogenic data from World literature to develop both ‘universal’ empirical correlations and CFD models, which are expected to serve as foundation for design of future space systems involving cryogenic fluids. This presentation will provide an overview of both the experimental work and predictive tools that have resulted from the joined Purdue-Glenn studies.

Flow Boiling↗
NASA NTRS1973

Shock compression of a recrystallized anorthositic rock from Apollo 15

Hugoniot measurements on 15,418, a recrystallized and brecciated gabbroic anorthosite, yield a value of the Hugoniot elastic limit (HEL) varying from 45 to 70 kbar as the final shock pressure is varied from 70 to 280 kbar. Above the HEL and to 150 kbar, the pressure-density Hugoniot is closely described by a hydrostatic equation of state constructed from ultrasonic data for single-crystal plagioclase and pyroxene. Above 150 kbar, the Hugoniot states indicate that a series of one or more shock-induced phase changes are occurring in the plagioclase and pyroxene. From Hugoniot data for both the single-crystal minerals and the Frederick diabase, we infer that the shock-induced high-pressure phases in 15,418 probably consists of a 3.71 g/cu cm density, high-pressure structure for plagioclase and a 4.70 g/cu cm perovskite-type structure for pyroxene.

Ahrens, T. J.↗
NASA NTRS1984

Effect of liquid droplets on turbulence structure in a round gaseous jet

A proposed two equation turbulence model for incompressible dilute two phase flows was validated and extended for steady incompressible two phase flow including phase change. The model was tested for the flow of a turbulent axisymmetric gaseous jet laden with multisize evaporating liquid droplets. Predicted results include distributions of the mean velocity; volume fractions of different phases concentration of the evaporated material in the carrier phase; turbulence intensity and shear stress of the carrier phase; droplet diameter distribution; and the jet spreading rate. Results are analyzed based on a qualitative comparison with the corresponding single phase jet flow.

Mostafa, A. M.↗
NASA NTRSDate not supplied

Three-Dimensional CFD Simulations in the Film Boiling Regime During Liquid Nitrogen Chilldown Process

The paper presents a three-dimensional CFD simulation for predicting the liquid nitrogen chilldown process through a SS-304 tube. A dispersed mixture model has been employed to predict the two-phase flow behavior whereas the Lee phase change model has been used to predict the boiling process. Cryogenic chilldown process starts with a pure vapor region and proceeds to film, transition and nucleate boiling regimes before reaching the single phase liquid flow and complete chilldown of the transfer line. The present numerical model predicted the film boiling regime accurately and the slope of the chilldown curve deviates slightly from the experimental curve towards the transition and nucleate boiling regime, which needs further investigation. The contours of liquid volume fraction and temperature profiles has been presented to understand the inverted annular film flows in the film boiling regime in detail. In future, the present CFD model will be extended to a wide range of chilldown conditions and different cryogenic fluids to develop a robust methodology.

CFD↗
DOE OSTI2024

Exploring Cr and molten salt interfacial interactions for molten salt applications

Molten salts play an important role in various energy-related applications such as high-temperature heat transfer fluids and reaction media. However, the extreme molten salt environment causes the degradation of materials, raising safety and sustainability challenges. A fundamental understanding of material–molten salt interfacial evolution is needed. This work studies the transformation of metallic Cr in molten 50/50 mol% KCl–MgCl 2 via multi-modal in situ synchrotron X-ray nano-tomography, diffraction and spectroscopy combined with density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Notably, in addition to the dissolution of Cr in the molten salt to form porous structures, a δ-A15 Cr phase was found to gradually form as a result of the metal–salt interaction. This phase change of Cr is associated with a change in the coordination environment of Cr at the interface. DFT and AIMD simulations provide a basis for understanding the enhanced stability of δ-A15 Cr vs. bcc Cr, by revealing their competitive phase thermodynamics at elevated temperatures and probing the interfacial behavior of the molten salt at relevant facets. This study provides critical insights into the morphological and chemical evolution of metal–molten salt interfaces. Finally, the combination of multimodal synchrotron analysis and atomic simulation also offers an opportunity to explore a broader range of systems critical to energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗