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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 235 records · Page 13

The stability of the contact interface of cylindrical and spherical shock tubes

The stability of the contact interface for radial shock tubes is investigated as a model for explosive dispersal. The advection upstream splitting method with velocity and pressure diffusion (AUSM+-up) is used to solve for the radial base flow. To explore the stability of the resulting contact interface, perturbed governing equations are derived assuming harmonic modes in the transverse directions. The perturbed harmonic flow is solved by assuming an initial disturbance and using a perturbed version of AUSM+-up derived in this paper. The intensity of the perturbation near the contact interface is computed and compared to theoretical results obtained by others. Despite the simplifying assumptions of the theoretical analysis, very good agreement is confirmed. Not only can the magnitude of the instability be predicted during the initial expansion, but also remarkably the agreement between the numerical and theoretical results can be maintained through the collision between the secondary shock and the contact interface. Since the theoretical results only depend upon the time evolution of the base flow, the stability of various modes could be quickly studied without explicitly solving a system of partial differential equations for the perturbed flow.

42 ENGINEERING↗

Investigation of Compressibility Effect for Aeropropulsive Shear Flows

Rocket Based Combined Cycle (RBCC) engines operate within a wide range of Mach numbers and altitudes. Fundamental fluid dynamic mechanisms involve complex choking, mass entrainment, stream mixing and wall interactions. The Propulsion Research Center at the University of Alabama in Huntsville is involved in an on- going experimental and numerical modeling study of non-axisymmetric ejector-based combined cycle propulsion systems. This paper attempts to address the modeling issues related to mixing, shear layer/wall interaction in a supersonic Strutjet/ejector flow field. Reynolds Averaged Navier-Stokes (RANS) solutions incorporating turbulence models are sought and compared to experimental measurements to characterize detailed flow dynamics. The effect of compressibility on fluids mixing and wall interactions were investigated using an existing CFD methodology. The compressibility correction to conventional incompressible two- equation models is found to be necessary for the supersonic mixing aspect of the ejector flows based on 2-D simulation results. 3-D strut-base flows involving flow separations were also investigated.

Balasubramanyam, M. S.↗

Seasonal controls on dynamic hyporheic zone redox biogeochemistry

Hyporheic zones (where surface water and groundwater mix in streambeds) play a critical role in the movement of chemicals within watersheds, particularly in upland headwater streams. Seasonal hydrology controls the expansion and contraction of hyporheic zones, with greater downwelling oxic river water influence during periods of peak river discharge (linked to snowmelt), and greater influence of upwelling anoxic groundwater during periods of low- and base-flow. Through this work, we aimed to quantify upwelling and downwelling fluxes across seasons and assess the impact of these dynamics on microbial community assembly and geochemical gradients at East River, Colorado. Further, we performed high spatial resolution sampling to capture heterogeneous mixing patterns around a characteristic meander on the river and developed reactive transport models to explain seasonal patterns of manganese (Mn) cycling in riverbed sediments. We were able to measure a dominant period of downwelling river water associated with high river discharge in Spring 2017 that led to the mixing of microbial communities across a 60-cm depth profile through the riverbed at three locations around the meander, and higher rates of aerobic respiration via delivery of dissolved oxygen (O2) and dissolved organic carbon (DOC). Conversely, we demonstrated that depth-resolved microbial communities became more distinct and stratified across a depth gradient during periods of low- and base-flow when upwelling groundwater exerted more influence in the riverbed. We also observed an increase in Mn concentrations within deeper streambed sediments during the baseflow season. Reactive transport models were developed to understand seasonal changes in Mn cycling in the streambed because Mn oxides influence the mobility of other metals in streams. In field observations and models, dissolved Mn is flushed from the streambed during spring snowmelt. A shift to upwelling conditions over the subsequent baseflow period allows for groundwater rich in dissolved Mn to mix with oxygenated river water in the shallow subsurface, resulting in net accumulation of Mn-oxides until the bed freezes in winter. We also developed models for hydrograph scenarios with snowmelt events of various size and timing. Our scenarios suggest that in years with less snowpack and a longer baseflow season, Mn oxidation will be favored in the upper riverbed sediments over more of the year, which may increase the sorption capacity of the streambed for other metals. Finally, we assessed fine-scale geochemical and hydrologic heterogeneity in the meandering riverbed by sampling pore water at 20 cm depth across more than 100 locations in August 2018. Sample locations span distinct zones of up-welling groundwater that contrast against dominant down-welling conditions. Clear differences in carbon quality and concentrations of redox sensitive solutes were detected between these zones, highlighting the importance of understanding heterogeneity at small scales across streambeds. Geochemical differences were associated with differences in microbial assemblage, but microbial diversity was generally uniform and high across all locations at the same depth, regardless of the extent of groundwater influence.

54 ENVIRONMENTAL SCIENCES↗

Properties of coupled-cluster equations originating in excitation sub-algebras

In this paper we discuss properties of single-reference coupled cluster (CC) equations associated with the existence of nilpotent sub-algebras of excitations that allow one to represent CC equations in a hybrid fashion where the cluster amplitudes associated with these sub-algebras can be obtained by solving corresponding eigenvalue problem. For closed-shell formulations analyzed in this paper, the hybrid representation of CC equations provides a natural way for extending concepts behind actives-spaces and seniority numbers to provide more accurate description of electron correlation effects. Moreover, new representation can be utilized to re-define iterative algorithms used to solve CC equations, especially for though cases defined by the presence of strong static and dynamic correlation effects. We will also explore invariance properties associated with the nilpotent sub-algebras to define a new class of CC approximations referred in this paper to as the nilpotent-flow-based CC methods. We illustrate the performance of these methods on the example of ground- and excited-state calculations for commonly used small benchmark systems.

Kowalski, Karol↗

Asymmetric vanadium-based aqueous flow batteries

Vanadium redox couples (V(II)/V(III) on a negative electrode or V(IV)/V(V) on a positive electrode) can be paired with other redox couples to form novel flow batteries (FBs). As an anolyte, the V(II)/V(III) redox couple can be paired with iron, manganese, cobalt, and cerium redox couples to form novel vanadium-iron (V-Fe), vanadium-manganese (V-Mn), vanadium-cobalt (V-Co), and vanadium-cerium (V-Ce) FBs, respectively. The V(IV)/V(V) redox couple as a catholyte can be coupled with hydrogen to form a vanadium hydrogen (V-H2) FB. In those new redox chemistries, redox reactions, energy density, round-trip efficiencies, crossover issues, and cell components (i.e., separator, ion exchange membrane, and electrode) are different from an all-vanadium flow battery discussed in previous chapters, and thus warrant a detailed discussion.

Vanadium, V-Fe, V-Ce, V-Co↗

High-Capacity Organic Radical Mediated Phosphorus Anode for Sodium-Based Redox Flow Batteries

An innovative approach to improve the energy density of redox flow batteries (RFBs) through electrochemically mediated reactions is demonstrated. Soluble anion radical species (biphenyl and pyrene) mediate reversible sodium storage in a red phosphorus (P) anode located in an external packed bed reactor in the absence of binders or conductive additives. Because the anion radical species can be recycled several times through the cell stack during a single charge/discharge cycle, a mediated RFB effectively decouples the battery’s energy density from the redox species’ solubility in the electrolyte. The present study demonstrates the highest capacity reported to date for a mediated anode (up to 800 mAh/gP via reversible formation of Na x P). Finally, this approach represents a paradigm shift in the field and can conceivably achieve energy densities exceeding 200 Wh/kg, which is ~10 times greater than that of conventional RFBs (e.g., 25 Wh/kg for an aqueous vanadium system).

25 ENERGY STORAGE↗

Efficient Monte Carlo With Graph-Based Subsurface Flow and Transport Models

Simulating flow and transport in fractured porous media frequently involves solving numerical discretizations of partial differential equations with a large number of degrees of freedom using discrete fracture network (DFN) models. Uncertainty in the properties of the fracture network that controls flow and transport requires a large number of DFN simulations to statistically describe quantities of interest. However, the computational cost of solving more than a few realizations of a large DFN can be intractable. As a means of circumventing this problem, we utilize both a high-fidelity DFN model and a graphbased model of flow and transport in combination with a multifidelity Monte Carlo (MC) method to reduce the number of high-fidelity simulations that are needed to obtain an accurate estimate of the quantity of interest. We demonstrate the approach by estimating quantiles of the breakthrough time for a conservative tracer in an ensemble of fractured porous media. Our results demonstrate that a multifidelity MC estimate, whose computational cost is equal to the cost of 10 DFN simulations, can be as accurate as a standard MC estimate that utilizes 1,000 DFN simulations. Thus the combination of our graphbased model with multifidelity MC estimates effectively reduces the computational cost of the problem by a factor of approximately 100.

58 GEOSCIENCES↗

Conjugate Heat Transfer Analysis of the Supercritical CO2 Based Counter Flow Compact 3D Heat Exchangers

Compact heat exchangers using supercritical fluids such as CO2 are preferred due to their high heat transfer capacity and smaller footprint. Three-dimensional conjugate forced convection heat transfer analysis was performed on several shell-and-tube counter-flow microchannel heat exchangers. Numerical simulations were conducted to test effect of change in mass flow rate, hydraulic diameter and various cross sections on the heat transfer. Increasing mass flow rate improved heat transfer up to a maximum value and then decreased downstream with increasing turbulence. Maximum heat transfer was obtained for the micro channel with the smallest hydraulic diameter. Amongst the cross sections analyzed (circular, square, circular with radial ribs, and square with radial ribs), the most uniform distribution of temperature and maximum heat transfer were obtained for circular cross section with radial ribs. An optimally efficient operation of such a heat exchanger can be attained by considering these factors during multi-objective constrained optimization of geometric parameters and requirements for additive manufacturing of such compact heat exchangers.

Chitale, Janhavi↗