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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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Polygeneration system uses existing technology in integrated process to produce liquid hydrogen space-vehicle propellant and secondary products as gaseous nitrogen, electrical energy, and thermal energy. Makes commercial launch services economical. Lowers expected cost of liquid hydrogen by utilizing relatively cheap coal feedstocks and by reducing electrical costs associated with producing liquid hydrogen.
An analytical technique is developed to solve nonlinear three-dimensional, transverse and axial combustion instability problems associated with liquid-propellant rocket motors. The Method of Weighted Residuals is used to determine the nonlinear stability characteristics of a cylindrical combustor with uniform injection of propellants at one end and a conventional DeLaval nozzle at the other end. Crocco's pressure sensitive time-lag model is used to describe the unsteady combustion process. The developed model predicts the transient behavior and nonlinear wave shapes as well as limit-cycle amplitudes and frequencies typical of unstable motor operation. The limit-cycle amplitude increases with increasing sensitivity of the combustion process to pressure oscillations. For transverse instabilities, calculated pressure waveforms exhibit sharp peaks and shallow minima, and the frequency of oscillation is within a few percent of the pure acoustic mode frequency. For axial instabilities, the theory predicts a steep-fronted wave moving back and forth along the combustor.
A tribology experiment in zero gravity was performed during the orbital flight of Spacelab 1 to study the motion of liquid lubricants over solid surfaces. The absence of a significant gravitational force facilitates studies of the motion of liquid lubricants over solid surfaces as controlled by interfacial and capillary forces. Observations were made of phenomena associated with the liquid on one solid surface and also with the liquid between a pair of closely spaced surfaces. Typical photographic records obtained on Spacelab 1 are described.
A liquid-crystal TV spatial light modulator (LCTV SLM) input device and LCTV nonlinear thresholding element are presently used to accomplish an all-optical implementation of an inner-product neural associative memory. This architecture represents an alternative to the vector-matrix multiplication method of the Hopfield model, which is most often employed by neural network associative memory models. LCTV SLM experimental results are presented and discussed.
While the HEDs provide an extremely useful basis for interpreting data from the Dawn mission, there is no guarantee that they provide a complete vision of all possible crustal (and possibly mantle) lithologies that are exposed at the surface of Vesta. With this in mind, an alternative approach is to identify plausible bulk compositions and use mass-balance and geochemical modelling to predict possible internal structures and crust/mantle compositions and mineralogies. While such models must be consistent with known HED samples, this approach has the potential to extend predictions to thermodynamically plausible rock types that are not necessarily present in the HED collection. Nine chondritic bulk compositions are considered (CI, CV, CO, CM, H, L, LL, EH, EL). For each, relative proportions and densities of the core, mantle, and crust are quantified. This calculation is complicated by the fact that iron may occur in metallic form (in the core) and/or in oxidized form (in the mantle and crust). However, considering that the basaltic crust has the composition of Juvinas and assuming that this crust is in thermodynamic equilibrium with the residual mantle, it is possible to calculate a single solution to this problem for a given bulk composition. Of the nine bulk compositions tested, solutions corresponding to CI and LL groups predicted a negative metal fraction and were not considered further. Solutions for enstatite chondrites imply significant oxidation relative to the starting materials and these solutions too are considered unlikely. For the remaining bulk compositions, the relative proportion of crust to bulk silicate is typically in the range 15 to 20% corresponding to crustal thicknesses of 15 to 20 km for a porosity-free Vesta-sized body. The mantle is predicted to be largely dominated by olivine (greater than 85%) for carbonaceous chondrites, but to be a roughly equal mixture of olivine and pyroxene for ordinary chondrite precursors. All bulk compositions have a significant core, but the relative proportions of metal and sulphide can be widely different. Using these data, total core size (metal+ sulphide) and average core densities can be calculated, providing a useful reference frame within which to consider geophysical/gravity data of the Dawn mission. Further to these mass-balance calculations, the MELTS thermodynamic calculator has been used to assess to what extent chondritic bulk compositions can produce Juvinas-like liquids at relevant degrees of partial melting/crystallization. This work will refine acceptable bulk compositions and predict the mineralogy and composition of the associated solid and liquid products over wide ranges of partial melting and crystallization, providing a useful and self-consistent reference frame for interpretation of the data from the VIR and GRaND instruments onboard the Dawn spacecraft.
The thermal resistance associated with the interface between a solid and a liquid is analysed from an atomistic point of view. Partial evaluation of the associated Green–Kubo integral elucidates the various factors governing heat transport across the interface and leads to a quantitative model for the thermal resistance in terms of atomistic-level system parameters. The model is validated using molecular dynamics simulations.
Abstract Much attention has been devoted to water’s metastable phase behavior, including polyamorphism (multiple amorphous solid phases), and the hypothesized liquid-liquid transition and associated critical point. However, the possible relationship between these phenomena remains incompletely understood. Using molecular dynamics simulations of the realistic TIP4P/2005 model, we found a striking signature of the liquid-liquid critical point in the structure of water glasses, manifested as a pronounced increase in long-range density fluctuations at pressures proximate to the critical pressure. By contrast, these signatures were absent in glasses of two model systems that lack a critical point. We also characterized the departure from equilibrium upon vitrification via the non-equilibrium index; water-like systems exhibited a strong pressure dependence in this metric, whereas simple liquids did not. These results reflect a surprising relationship between the metastable equilibrium phenomenon of liquid-liquid criticality and the non-equilibrium structure of glassy water, with implications for our understanding of water phase behavior and glass physics. Our calculations suggest a possible experimental route to probing the existence of the liquid-liquid transition in water and other fluids.
A major portion of the energy produced in the world today comes from the burning of liquid hydrocarbon fuels in the form of droplets. Understanding the fundamental physical processes involved in droplet combustion is not only important in energy production but also in propulsion, in the mitigation of combustion-generated pollution, and in the control of the fire hazards associated with handling liquid combustibles. Microgravity makes spherically symmetric combustion possible, allowing investigators to easily validate their droplet models without the complicating effects of gravity. The Fiber-Supported Droplet Combustion (FSDC-2) investigation was conducted in the Microgravity Glovebox facility of the shuttles' Spacelab during the reflight of the Microgravity Science Laboratory (MSL- 1R) on STS-94 in July 1997. FSDC-2 studied fundamental phenomena related to liquid fuel droplet combustion in air. Pure fuels and mixtures of fuels were burned as isolated single and duo droplets with and without forced air convection. FSDC-2 is sponsored by the NASA Lewis Research Center, whose researchers are working in cooperation with several investigators from industry and academia. The rate at which a droplet burns is important in many commercial applications. The classical theory of droplet burning assumes that, for an isolated, spherically symmetric, single-fuel droplet, the gas-phase combustion processes are much faster than the droplet surface regression rate and that the liquid phase is at a uniform temperature equal to the boiling point. Recent, more advanced models predict that both the liquid and gas phases are unsteady during a substantial portion of the droplet's burning history, thus affecting the instantaneous and average burning rates, and that flame radiation is a dominant mechanism that can extinguish flames in a microgravity environment. FSDC-2 has provided well-defined, symmetric droplet burning data including radiative emissions to validate these theoretical models for heptane, decane, ethanol, and methanol fuels. Since most commercial combustion systems burn droplets in a convective environment, data were obtained without and with convective flow over the burning droplet (see the following photos).
Lithium-ion batteries (LIBs) can now be used in almost all modern electronic devices and electric vehicles. However, as the range of applications increases, the challenges increase as well, especially at very low temperatures. Many individual processes could result in capacity loss of LIBs at low temperatures; however, most of them are associated with the liquid electrolyte inside the battery. In this review, we first discuss the main limitations in developing liquid electrolytes used in low-temperature LIBs, and then we summarize the current advances in low-temperature electrolytes, including lithium salts, solvents, additives, and new strategies. Finally, we present some perspectives on the current state of low-temperature electrolytes for LIBs, outlining the most promising research areas in this field. In conclusion, this review will provide useful insights into the design of cryogenic electrolytes and the path forward to the widespread use of LIBs in cryogenic environments.
By employing quasielastic neutron scattering, we studied the atomic-scale relaxation dynamics and transport mechanism of La 50 Ni 15 Al 35 and Ce 70 Cu 19 Al 11 metallic glass melts in the temperature range of > 200K above their liquidus temperatures. The results show that both liquids exhibit stretched exponential relaxation and Arrhenius-type temperature dependence of the effective diffusion coefficient. The La 50 Ni 15 Al 35 melt exhibits an activation energy of 0.545 ± 0.008 eV and a stretching exponent ~0.77 to 0.86 in the studied temperature range; no change of activation energy, as suggested in previous reports, associated with liquid-liquid phase transition was observed. In contrast, the Ce 70 Cu 19 Al 11 melt exhibits larger diffusivity with a much smaller activation energy of 0.201±0.003eV and a smaller stretching exponent ~0.51 to 0.60, suggestive of more heterogeneous dynamics.
Extractant aggregation in liquid–liquid extraction organic phases impacts extraction energetics and is related to the deleterious efficiency-limiting liquid–liquid phase transition known as third phase formation. Using small angle X-ray scattering, we find that structural heterogeneities across a wide range of compositions in binary mixtures of malonamide extractants and alkane diluents are well described by Ornstein–Zernike scattering. This suggests that structure in these simplified organic phases originates from the critical point associated with the liquid–liquid phase transition. To confirm this, we measure the temperature dependence of the organic phase structure, finding critical exponents consistent with the 3D Ising model. Molecular dynamics simulations were also consistent with this mechanism for extractant aggregation. Due to the absence of water or any other polar solutes required to form reverse-micellar-like nanostructures, these fluctuations are inherent to the binary extractant/diluent mixture. Further, we also show how the molecular structure of the extractant and diluent modulate these critical concentration fluctuations by shifting the critical temperature: critical fluctuations are suppressed by increasing extractant alkyl tail lengths or decreasing diluent alkyl chain lengths. This is consistent with how extractant and diluent molecular structure are known to impact metal and acid loading capacity in many-component LLE organic phases, suggesting phase behavior of practical systems may be effectively studied in simplified organic phases. Overall, the explicit connection between molecular structure, aggregation and phase behavior demonstrated here will enable the design of more efficient separations processes.
Macroscopic phase equilibria between solutions define the functionality of many biological and industrial processes, yet they are challenging to predict due to the inherent complexity of liquids containing large molecules. This work introduces an approach for the purely predictive calculation of such phase equilibria in temperature-composition space from molecular dynamics (MD) simulations at one temperature in the single-phase region. We use an approach developed previously to obtain the entropic and enthalpic contributions to the free energy of mixing from the atomic-scale information given by MD simulations via Kirkwood–Buff theory. This allows us to accurately estimate the free energy of mixing as a function of temperature, and thus obtain liquid–liquid phase equilibria, including liquid–liquid critical points, associated binodal and spinodal lines, and composition fluctuations across a region of temperature and composition. Results for binary malonamide–alkane systems are validated by comparison to a direct experimental probe of the fluctuations: the small angle X-ray scattering intensity near zero wavenumber. The MDKB → Phase method demonstrated here provides a significant improvement in predicting liquid–liquid equilibria and free energy as a function of temperature for our systems of interest compared to conventional thermodynamic models. The accurate performance of this purely predictive approach lies in its preservation of atomistic details when determining thermodynamic properties. Furthermore, its inherent extensibility to multi-component systems will likely make the MDKB → Phase approach a valuable general tool for connecting molecular interactions to macroscopic phase equilibria and for the computational screening of materials for targeted thermodynamic behavior.
A two-phase mathematical model is proposed for calculating the induced turbulent vertical liquid flow. Bubbles provide a large buoyancy force and the associated drag on the liquid moves the liquid upward. The liquid pumped upward consists of the bubble wakes and the liquid brought into the jet region by turbulent entrainment. The expansion of the gas bubbles as they rise through the liquid is taken into account. The continuity and momentum equations are solved numerically for an axisymmetric air jet submerged in water. Water pumping rates are obtained as a function of air flow rate and depth of submergence. Comparisons are made with limited experimental information in the literature.
Many solid-state devices, especially those requiring anion conduction, often add a supporting electrolyte to enable efficient operation. The prototypical case is that of anion-exchange-membrane water electrolyzers (AEMWEs), where addition of an alkali metal solution improves performance. However, the specific mechanism of this performance improvement is currently unknown. This work investigates the functionality of the alkali metal solution in AEMWEs using experiments and mathematical models. The results show that additional hydroxide plays a key role not only in ohmic resistance of the membrane and catalyst layer but also in the reaction kinetics. The modeling suggests that the added liquid electrolyte creates an additional electrochemical interface with the electrocatalyst that provides ion-transport pathways and distributes product gas bubbles; the total effective electrochemical active surface area in the cell with 1 M KOH is 5 times higher than that of the cell with DI water. In the cell with 1 M KOH, more than 80% of the reaction current is associate with the liquid electrolyte. These results indicate the importance of high pH of electrolyte and catalyst/electrolyte interface in AEMWEs. The understanding of the functionality of the alkali metal solution presented in this study should help guide the design and optimization of AEMWEs.
A 2-D finite element model is presented for the melt growth of single crystals in a microgravity environment with a superimposed DC magnetic field. The model is developed based on the deforming finite element methodology and is capable of predicting the phenomena of the steady and transient convective flows, heat transfer, solute distribution, and solid-liquid interface morphology associated with the melt growth of single crystals in microgravity with and without an applied magnetic field. Numerical simulations were carried out for a wide range of parameters including idealized microgravity conditions, the synthesized g-jitter and the real g-jitter data taken by on-board accelerometers during space flights. The results reveal that the time varying g-jitter disturbances, although small in magnitude, cause an appreciable convective flow in the liquid pool, which in turn produces detrimental effects during the space processing of single crystal growth. An applied magnetic field of appropriate strength, superimposed on microgravity, can be very effective in suppressing the deleterious effects resulting from the g-jitter disturbances.
We present calculations and measurements on the shape of liquid metal droplets in electromagnetic levitation experiments. A normal stress balance model was developed to predict the shapes of liquid metal droplets that will be obtained in a microgravity experiment to measure the viscosity and surface tension of undercooled metals. This model was tested by calculating the droplet shapes in containerless experiments conducted to determine the surface tension of liquid metals. Inconsistencies associated with the results of a previous paper are elucidated. The computational results of the mathematical model are compared with the results of ground-based experiments for two different metals. The importance of the ratio of electromagnetic skin depth-to-droplet radius to the accuracy of the mathematical model is discussed. A planned alternate approach to modeling the shape by consideration of the entire droplet rather than only the surface is presented. As an example of an application. the influence of the shape on the splitting of the surface oscillation modes of levitated liquid metal droplets is discussed.
The electrochemical recovery of Gd into liquid Bi electrodes was investigated in molten LiCl-KCl-GdCl 3 electrolyte at 773–973 K using constant currents of 10–150 mA cm −2 . High round-trip coulombic efficiency (>97 %) was demonstrated for deposition and removal of Gd into and from liquid Bi at all temperatures, confirming chemically reversible electrode reactions towards high recovery yield of Gd using liquid Bi. Furthermore, the overpotential associated with deposition of Gd into the liquid Bi electrode gradually increased with current density and decreased with temperature. At the lowest temperature of 773 K, a steep increase in overpotential was evident at high current densities due to slower mass transport and low solubility of Gd in liquid Bi (0.5 at.% Gd). Based on the impedance spectra of Bi electrodes at 773–973 K, the exchange current density was estimated to be 110–220 mA cm −2 , indicating facile charge transfer at the liquid electrode-electrolyte interface. Post-mortem characterization of Bi cathodes after electrolysis at 873 K indicated the formation of a solid GdBi(s) compound layer at the Bi electrode surface. Chemical analysis of Bi cathodes at various deposited Gd compositions resulted in Faradaic efficiencies of ∼75–84 %, promising a high recovery yield of Gd from molten salts using a strongly-interacting liquid Bi electrode.
From observations of a stream of gas bubbles rising through a liquid, a two-phase mathematical model is proposed for calculating the induced turbulent vertical liquid flow. The bubbles provide a large buoyancy force and the associated drag on the liquid moves the liquid upward. The liquid pumped upward consists of the bubble wakes and the liquid brought into the jet region by turbulent entrainment. The expansion of the gas bubbles as they arise through the liquid is taken into account. The continuity and momentum equations are solved numerically for an axisymmetric air jet submerged in water. Water pumping rates are obtained as a function of air flow rate and depth of submergence. Comparisons are made with limited experimental information in the literature.