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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 451 records · Page 25

Advanced Computational Modeling of Vapor Deposition in a High-Pressure Reactor

In search of novel approaches to produce new materials for electro-optic technologies, advances have been achieved in the development of computer models for vapor deposition reactors in space. Numerical simulations are invaluable tools for costly and difficult processes, such as those experiments designed for high pressures and microgravity conditions. Indium nitride is a candidate compound for high-speed laser and photo diodes for optical communication system, as well as for semiconductor lasers operating into the blue and ultraviolet regions. But InN and other nitride compounds exhibit large thermal decomposition at its optimum growth temperature. In addition, epitaxy at lower temperatures and subatmospheric pressures incorporates indium droplets into the InN films. However, surface stabilization data indicate that InN could be grown at 900 K in high nitrogen pressures, and microgravity could provide laminar flow conditions. Numerical models for chemical vapor deposition have been developed, coupling complex chemical kinetics with fluid dynamic properties.

Cardelino, Beatriz H.↗

Supersonic Retropropulsion Technology Development in NASA's Entry, Descent, and Landing Project

NASA's Entry, Descent, and Landing (EDL) space technology roadmap calls for new technologies to achieve human exploration of Mars in the coming decades [1]. One of those technologies, termed Supersonic Retropropulsion (SRP), involves initiation of propulsive deceleration at supersonic Mach numbers. The potential benefits afforded by SRP to improve payload mass and landing precision make the technology attractive for future EDL missions. NASA's EDL project spent two years advancing the technological maturity of SRP for Mars exploration [2-15]. This paper summarizes the technical accomplishments from the project and highlights challenges and recommendations for future SRP technology development programs. These challenges include: developing sufficiently large SRP engines for use on human-scale entry systems; testing and computationally modelling complex and unsteady SRP fluid dynamics; understanding the effects of SRP on entry vehicle stability and controllability; and demonstrating sub-scale SRP entry systems in Earth's atmosphere.

Edquist, Karl T.↗

Evolved Gas Analyses of Sedimentary Rocks and Eolian Sediment in Gale Crater, Mars: Results of the Curiosity Rover's Sample Analysis at Mars Instrument from Yellowknife Bay to the Namib Dune

The sample analysis at Mars instrument evolved gas analyzer (SAM-EGA) has detected evolved water, H2, SO2, H2S, NO, CO2, CO, O2, and HCl from two eolian sediments and nine sedimentary rocks from Gale Crater, Mars. These evolved gas detections indicate nitrates, organics, oxychlorine phase, and sulfates are widespread with phyllosilicates and carbonates occurring in select Gale Crater materials. Coevolved CO2 (160 +/- 248-2373 +/- 820 μgC(CO2)/g) and CO (11 +/- 3-320 +/- 130 μgC(CO)/g) suggest that organic C is present in Gale Crater materials. Five samples evolved CO2 at temperatures consistent with carbonate (0.32 +/- 0.05-0.70 +/- 0.1 wt % CO3). Evolved NO amounts to 0.002 +/- 0.007-0.06 +/- 0.03 wt % NO3. Evolution of O2 suggests that oxychlorine phases (chlorate/perchlorate) (0.05 +/- 0.025-1.05 +/- 0.44 wt % ClO4) are present, while SO2 evolution indicates the presence of crystalline and/or poorly crystalline Fe and Mg sulfate and possibly sulfide. Evolved H2O (0.9 +/- 0.3-2.5 +/- 1.6 wt % H2O) is consistent with the presence of adsorbed water, hydrated salts, interlayer/structural water from phyllosilicates, and possible inclusion water in mineral/amorphous phases. Evolved H2 and H2S suggest that reduced phases occur despite the presence of oxidized phases (nitrate, oxychlorine, sulfate, and carbonate). SAM results coupled with CheMin mineralogical and Alpha-Particle X-ray Spectrometer elemental analyses indicate that Gale Crater sedimentary rocks have experienced a complex authigenetic/diagenetic history involving fluids with varying pH, redox, and salt composition. The inferred geochemical conditions were favorable for microbial habitability and if life ever existed, there was likely sufficient organic C to support a small microbial population.

Sutter, B.↗

Evolved Gas Analyses of Sedimentary Rocks and Eolian Sediment in Gale Crater, Mars: Results of the Curiosity Rover's Sample Analysis at Mars Instrument.

The Sample Analysis at Mars instrument evolved gas analyzer (SAM-EGA) has detected evolved water, SO2, NO, CO2, CO, O2, and HCl from two eolian sediments and nine sedimentary rocks from Gale Crater, Mars. The SAM-EGA heats samples to 870°C and measures evolved gas releases as function of temperature. These evolved gas detections indicate nitrates, organics, oxychlorine phase, and sulfates are widespread with phyllosilicates and carbonates occurring in select Gale Crater materials. CO2 and CO evolved at similar temperatures suggesting that as much as 2373 ± 820 μgC/g may occur as organic carbon in the Gale Crater rock record while relatively higher temperature CO2 detections are consistent with carbonate (<0.70 ± 0.1 wt % CO3). Evolved NO amounts up to 0.06 ± 0.03 wt % NO3 have been detected while O2 detections suggests chlorates and/or perchlorates (0.05 to 1.05 wt % ClO4) are present. Evolution of SO2 indicated the presence of crystalline and/or poorly crystalline Fe and Mg sulfate and possibly sulfide. Evolved H2O (0.9 - 2.5 wt% H2O) was consistent with the presence of adsorbed water, hydrated salts, interlayer/structural water from phyllosilicates, and possible inclusion water in mineral/amorphous phases. Evolved H2S detections suggest that reduced phases occur despite the presence of oxidized phases (nitrate, oxychlorine, sulfate, and carbonate). SAM results coupled with CheMin mineralogical and Alpha-Particle X-ray Spectrometer elemental analyses indicate that Gale Crater sedimentary rocks have experienced a complex authigenetic/diagenetic history involving fluids with varying pH, redox, and salt composition. The inferred geochemical conditions were favorable for microbial habitability and if life ever existed, there was likely sufficient organic C to support a small microbial population.

Sutter, Brad↗

Unraveling the Aqueous Alteration History and Searching for Extinct Life in Gale Crater, Mars: Mineralogical and Geochemical Results from the Mars Science Laboratory, Curiosity Rover's Instrument Payload

The goal of the Mars Science Laboratory (MSL), Curiosity Rover mission is to determine if Gale Crater, Mars ever had a habitable environment and to search for evidence of extinct microbial life. Gale Crater is ~155 km wide with a layered central mound (~5 km high). The Curiosity rover has traversed ~20 km from the crater floor up 350 m to the lower slopes of the central mound for over 2200 Martian solar days (sols). Curiosity's instruments have evaluated the geochemistry and mineralogy of regolith fines, eolian sediments, and sedimentary rocks to assess Gale Crater's aqueous alteration history. Results indicate that Gale Crater surface material have experienced a complex authigenetic/diagenetic history involving fluids with varying pH, redox, and salt composition. The inferred geochemical conditions were favorable for microbial habitability and if life ever existed, there was likely sufficient organic C to support a small microbial population.

Sutter, Brad↗

A Compact Superconducting RF Accelerator for Electron Beam and X-ray Irradiation

As commercial and industrial applications of electron beam and x-ray irradiation have developed, new applications have emerged that require very high beam power to create the required radiation field. These new applications require dependable, efficient, high-energy, high-power electron accelerators. Recent developments in Superconducting Radio-Frequency (SRF) technology can now enable accelerators with lower costs and improved performance. Cryogenic heat loads are dramatically reduced through use of new materials and improved component designs. New cooling methods allow the replacement of complex systems requiring cryogenic fluids with simple robust systems with no fluids. New RF sources can greatly reduce the cost of RF power. Each of these developments has been individually proven and an effort is underway at the Illinois Accelerator Research Center at Fermilab to integrate them into the first prototype of an entirely new class of industrial SRF-based accelerators. These accelerators will enable robust, turn-key operation with very high electrical efficiency. The accelerator prototype under design will be capable of 10 MeV beam, CW operation, and 250 kW of electron beam power. These modular systems are small enough to be palletized and transported to the point of use. Their high electrical efficiency mean that portable power generation systems can be enable their use in mobile applications. The goal is a compact, cost-effective, high-power accelerator suitable for many of the applications covered by this conference. Fermilab is actively working to build the prototype. The end-product will be a commercially available, robust, turn-key system for applications requiring reliable electron beam or X-ray irradiation. Keywords: accelerator, applications, conduction-cooling, cryogen-free, industrial, super-conducting RF.

43 PARTICLE ACCELERATORS↗

Behaviour of Alpha Emitters in Cement - 16139

Alpha emitting radioelements can interact with cements in a number of ways. Alpha-radiolysis of water produces hydrogen that may pressurise and damage the structure, and it is postulated that the intense alpha radiation field around waste particles containing high alpha activity can cause mineralogical changes in the hydration products. In addition, their solubility in cement pore fluid can be increased by complexation with organic materials such as the degradation products of cellulose, which itself may be promoted by alpha irradiation. Analysis of pore fluid expressed from cements containing plutonium and a range of organic materials has demonstrated their effect on plutonium solubility. Calculations of hydrogen pressurisation as a result of alpha radiolysis suggest that radiolytic hydrogen will not exceed tensile strength of the cement. Further work is described in which cements containing high loadings of plutonium will be examined in the NNL Central Laboratory to investigate mineralogical changes during and after hydration. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Quantitative detection of pathogens in centrifugal microfluidic disks

A system and methods for detection of a nucleic acid including forming a plurality of nucleic acid detection complexes are described, each of the complexes including a nucleic acid analyte, a detection agent and a functionalized probe. The method further including binding the nucleic acid detection complexes to a plurality of functionalized particles in a fluid sample and separating the functionalized particles having the nucleic acid detection complexes bound thereto from the fluid sample using a density media. The nucleic acid analyte is detected by detecting the detection agent.

60 APPLIED LIFE SCIENCES↗

Concurrent Uranium Overmass and Hydraulic Fluid Leak

In the Spring of 2017, the Y-12 National Security Complex had a NCS operational event involving hydraulic fluid leaking into a glovebox containing fissile material. The hydraulic fluid intermixed with fissile material in the glovebox but remained in a safe slab-like configuration. Unknown at the time, a large enough mass of uranium to support a moderated nuclear criticality accident resided below the glovebox floor in an unfavorable volume sand separator system. Thanks to the operator following procedures and shutting down the hydraulic pump supplying the jolter, a potential accident was adverted. As a result of the event, significant physical modifications were made to the process to enhance safety. Additionally, changes were made in how the materials in the glovebox are processed in order to prevent liquid intrusion and significant uranium accumulation in the sand separator system.

42 ENGINEERING↗

Removing spurious reflections from CFD solutions by using the Complex Cepstrum

The Complex Cepstrum is shown to remove spurious reflections from artificial boundaries in computational fluid dynamic (CFD) solutions. First, the Complex Cepstrum theory is presented. A model time sequence consisting of a direct signal and reflections is analyzed theoretically with the Complex Cepstrum, and it is shown that the direct signal uncontaminated by reflections may be recovered in the time domain. Next, the Complex Cepstrum is applied to one- and three-dimensional CFD solutions, and spurious reflections from the boundary conditions are removed. By eliminating spurious reflections introduced by artificial boundary conditions, the applicability of CFD methods to aeroacoustic problems is greatly enhanced.

Meadows, Kristine R.↗

Multi-fluid Approach to High-frequency Waves in Plasmas. II. Small-amplitude Regime in Partially Ionized Media

The presence of neutral species in a plasma has been shown to greatly affect the properties of magnetohydrodynamic waves. For instance, the interaction between ions and neutrals through momentum transfer collisions causes the damping of Alfvén waves and alters their oscillation frequency and phase speed. When the collision frequencies are larger than the frequency of the waves, single-fluid magnetohydrodynamic approximations can accurately describe the effects of partial ionization, since there is a strong coupling between the various species. However, at higher frequencies, the single-fluid models are not applicable and more complex approaches are required. Here, we use a five-fluid model with three ionized and two neutral components, which takes into consideration Hall’s current and Ohm’s diffusion in addition to the friction due to collisions between different species. We apply our model to plasmas composed of hydrogen and helium, and allow the ionization degree to be arbitrary. By analyzing the corresponding dispersion relation and numerical simulations, we study the properties of small-amplitude perturbations. We discuss the effect of momentum transfer collisions on the ion-cyclotron resonances and compare the importance of magnetic resistivity, and ion–neutral and ion–ion collisions on the wave damping at various frequency ranges. Applications to partially ionized plasmas of the solar atmosphere are performed.

79 ASTRONOMY AND ASTROPHYSICS↗

Cloud fluid compression and softening in spiral arms and the formation of giant molecular cloud complexes

With regard to the galactodynamics of the cloudy interstellar medium, the paper considers the response of such a gas to a forcing potential in the tight-winding density wave theory. The cloud fluid is treated in the hydrodynamic limit with an equation of state which softens at high densities. It is shown that in the inner regions of the galaxy, cooling of the cloud fluid in the arms can result in gravitational instability and the formation of large bound complexes of clouds which are identified with the giant molecular clouds (GMCs). Masses, dimensions, distributions, and scale heights of the GMCs are predicted by the theory. It is suggested that the interstellar gas density in the disk is regulated by the gravitational instability mechanism in the arms which siphons material into star formation. Implications for the evolution of individual GMCs and for galactic morphology are discussed.

Cowie, L. L.↗

Flow Simulation in Secondary Flow Passages of a Rocket Engine Turbopump

This paper presents application of a Generalized Fluid System Simulation Program (GFSSP) to model fluid flow in a very complex secondary flow circuit of a rocket engine turbopump, SIMPLEX. SIMPLEX was a low cost turbopump designed, manufactured and tested to demonstrate the ability to reduce the overall cost and design cycle time of turbomachinery. GFSSP is a general purpose computer program for analyzing flowrate, pressure, temperature and concentration distribution in a complex flow network. The program employs a finite volume formulation of mass, momentum and energy conservation equations in conjunction with thermodynamic equation of state of a real fluid. The secondary flow passages modeled include flow between the impeller shroud and housing, impeller back face and housing, flow through labyrinth seal and bearing, return line flow to inducer and flow adjacent to front and back face of the turbine. Axial load on the bearing are calculated from the predicted pressure on all axial faces of the rotor. The predicted pressure and temperature distributions compared well with the test data.

Schallhorn, Paul↗

Detection of Soluble Ligand-Tuned Molecular Tags for Subterranean Fluid Flow Monitoring Using Resonance Raman Spectroscopy

Our team has investigated a series of soluble coordination complexes for use as tags to monitor underground fluid flows in reservoirs. While most of the metal-ligand (M-L) complexes were based on the dianionic salen family of ligands, conceptually other ligands such as porphyrins or phthalocyanines could be used with similar success. Detection and identification of these species in solution were performed by inductively coupled plasma (ICP) or Raman/resonance Raman (rR) spectroscopy. The preparation of a large number of new M-L salen complexes was accomplished. Complexes were prepared that were soluble in either water or hydrocarbons to allow for flexibility in use. Unambiguous identification of these complexes allowed for meaningful molecular dynamics (MD) calculations to be performed, so that the attraction of the M-L complexes to either the rock formation or the liquid media could be evaluated. The use of soluble M-L species was found to avoid issues of rock deposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic Binary Complexes (DBC) as Super-Adjustable Viscosity Modifiers for Hydraulic Fracturing Fluids

In the preceding project year two, we refined three DBC formulations from a selection of over 50 different chemistries. The optimization study primarily encompassed testing for (i) reversibility extent, (ii) performance in the presence of chemical additives, (iii) adhesion and friction behavior during displacement in wellbores and pipelines, (iv) corrosion protection performance, and (v) injection performance with model fracture systems at the laboratory scale. Highly promising results obtained from all these tests signify the significant potential of DBCs in enhancing hydrocarbon recovery from unconventional reservoirs. The primary activities in the third project year included publishing experimental findings across multiple articles and conducting outreach initiatives. Throughout the year, we undertook tasks such as replicating experimental results, further optimizing various formulations and their associated experimental sets, and conducting additional tests to address missing components based on reviewer feedback and suggestions. We also explored the surfactant and friction-reduction aspects of selected formulations through drag reduction tests. In addition, we constructed an improved fracturing performance setup and performed flow injection tests. The specific DBC formulations focused on during this project period were A8/B1, A12/B5, and A10/B12. We also obtained results for additional DBC formulations and a select few commercial fracturing fluids for the purpose of comparison. Within the project's scope, we aim to enhance the experimental findings with the development of various models. The first two years focused on two key aspects: (i) the creation of a high-fidelity hydraulic fracturing model for non-Newtonian fluids to gain insights into the implementation of DBC fluids in fracking environments, and (ii) the development of a multiphase flow simulator for estimating total production, fluid saturation in the reservoir, and the creation of a fracture propagation model and kinetic Monte Carlo (kMC) models for diverse applications. In the third year, we delved into the fundamental nanostructural properties of DBCs, exploring aspects such as material chemistry, pH tunability, and control of DBC formation and stability. Subsequently, in the extension year, we conducted a systematic investigation of various building blocks containing primary, secondary, and tertiary amine functional groups to understand their impact on rheological and viscoelastic properties. Furthermore, we explored a Dissipative Particle Dynamics (DPD) model to simulate self-assembly processes with precision, creating a high-fidelity representation of relevant nanostructures. The tasks performed this year with the significant results obtained have been discussed in Section 2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying transport and electrocatalytic reaction processes in a gastight rotating cylinder electrode reactor via integration of Computational Fluid Dynamics modeling and experiments

Understanding the complexity of the multiple processes of mass, momentum, charge, and heat transport, and how these affect reaction kinetics at the electrode/electrolyte interface is one of the major challenges in the field of energy and catalysis. The rapid and rational scale-up of electrocatalytic systems to industrial scales require a detailed understanding of nonlinear transport-reaction processes, accessible only through the building of multi-physics models that capture with high fidelity the complexity of real-world devices. The gastight rotating cylinder electrode (RCE) reactor is a promising lab-scale tool that can decouple transport from intrinsic kinetics to generate data for first-principle models useful in the design of industrial, electrochemical reactors. Computational Fluid Dynamics (CFD) studies have previously been used to investigate the bulk flow in RCE reactors for simple corrosion and electroplating processes. However, the quantification of changes in local concentration within the viscous layer where catalysis takes place requires capturing the correct flow conditions inside the hydrodynamic boundary layer near the surface of the electrode. Further, this requires simulations with spatial resolution in the nm and μm scale and temporal resolutions between ms and s scales that are similar to the timescales for reactions on the electrode surface. In this study, experimental electrocatalysis is combined with CFD modeling to elucidate and parameterize the hydrodynamics in a gastight RCE reactor. CFD simulations of the electrochemical ferricyanide reduction reaction under mass transport limited conditions are used to evaluate the validity of the CFD model parameters by comparing calculated dimensionless mass transport descriptors to dimensionless correlations obtained experimentally. Justifications for assumptions and details of the simulation methods used in this study are presented to provide a detailed understanding of the effect that each model parameter has on the ability to accurately simulate electrocatalysis in RCE systems. The simulation methodology reported here is a first step towards the development of multi-scale models for the study of transport dependent electrocatalytic processes, such as the electrochemical transformation of CO 2 to fuels and chemicals.

42 ENGINEERING↗

Eulerian simulation of complex suspensions and biolocomotion in three dimensions

Significance Fluid–structure interactions are ubiquitous in many natural and man-made environments. They are difficult to study analytically, and therefore accurate and flexible computational methods are an indispensable tool in the field. Typically, fluids are simulated with a fixed background computational mesh, whereas a solid is simulated with a mesh that moves with it, making it challenging to couple the two. Here we develop a three-dimensional computational method where both fluid and solid can be represented on a fixed computational grid, which simplifies the coupling between the two phases considerably. Our method can simulate scenarios that are difficult to do with other methods, such as complex suspensions containing soft particles that are both heavier and lighter than the fluid.

3D fluid-structure interaction↗