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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 433 records · Page 24

Simulations of divertor plasmas with inverse sheaths

The effect of strong electron emission from material surfaces has been proposed to form an “inverse sheath”: a region with a positive potential relative to the near-wall plasma which prevents the flow of ions to the wall [M. D. Campanell, “Negative plasma potential relative to electronemitting surfaces,” Phys. Rev. E. 88, 033103 (2013); M. D. Campanell and M. V. Umansky, “Strongly emitting surfaces unable to float below plasma potential,” Phys. Rev. Lett. 116, 1–5 (2016); M. D. Campanell and G. R. Johnson, “Thermionic cooling of the target plasma to a sub-ev temperature,” Phys. Rev. Lett. 122, 1–5 (2019)]. We assess the viability of this regime in a tokamak device using the 2D edge plasma transport code UEDGE [T. Rognlien et al ., “A fully implicit, time dependent 2-D fluid code for modeling tokamak edge plasmas,” J. Nucl. Mater. 196–198, 347–351 (1992)]. Since the UEDGE code does not consider the sheath region directly, we apply boundary conditions at the divertor targets which emulate the physics of both “standard” and “inverse” sheath regimes [R. Masline et al ., “Influence of the inverse sheath on divertor plasma performance in tokamak edge plasma simulations,” Contrib. Plasma Phys. 60, e201900097 (2020)]. Using these boundary conditions, we perform scoping studies to assess plasma parameters near the target by varying the density at the core-edge interface. We observe a smooth transition in the resultant profiles of plasma parameters for the standard sheath, and a bifurcation across the simulation set for plasmas with an inverse sheath. The cause of this bifurcation is assessed by performing the parameter scan both with and without impurity radiation; we observe that the bifurcation persists in both cases, indicating that this bifurcation is caused by plasma recombination.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hydrodynamic models of a Cepheid atmosphere

Instead of computing a large number of coarsely zoned hydrodynamic models covering the entire atmospheric instability strip, the author computed a single model as well as computer limitations allow. The implicit hydrodynamic code of Kutter and Sparks was modified to include radiative transfer effects in optically thin zones.

Karp, A. H.↗

Influence of precursor heating on viscous flow around a Jovian entry body

The influence of changes in precursor region flow properties (resulting from the absorption of radiation from the shock layer) on the entire shock layer flow phenomena is investigated. Axially symmetric case is considered for both the preheating zone (precursor region) and shock layer. The flow in the shock layer is considered to be viscous with chemical equilibrium but radiative nonequilibrium. Realistic thermo-physical and spectral models are employed and results are obtained by implicit finite difference and iterative procedures. The results indicate that precursor heating increases the radiative heating of the body by a maximum of 7.5% for a 116 KM entry conditions.

Tiwari, S. N.↗

Significance of shock and body slip conditions on Jovian entry heating

The influence of the body and shock slip conditions on the heating of a Jovian entry body is investigated. The flow in the shock layer is considered to be axisymmetric, steady, laminar, viscous, and in chemical equilibrium. Realistic thermophysical and step-function spectral models are employed and results are obtained by implicit finite-difference and iteractive procedures. The freestream conditions correspond to a typical Jovian entry trajectory point. The results indicate that the effect of the slip conditions is significant when the altitudes are higher than 225 km and that the contribution of a radiative heat-flux term in the energy equation should not be neglected at any altitude.

Tiwari, S. N.↗

Influence of precursor heating on viscous flow around a Jovian entry body

The influence of changes in precursor region flow properties (resulting from the absorption of radiation from the shock layer) on the entire shock layer flow phenomena was investigated. The axially symmetric case is considered for both the preheating zone (precursor region) and shock layer. The flow in the shock layer is assumed to be viscous with chemical equilibrium but radiative nonequilibrium. Realistic thermophysical and spectral models are employed, and results are obtained by implicit finite difference and iterative procedures. The results indicate that precursor heating increases the radiative heating of the body by a maximum of 7.5 percent for 116 km entry conditions.

Tiwari, S. N.↗

Is the Cameron River greenstone belt allochthonous?

Many tectonic models for the Slave Province, N.W.T., Canada, and for Archean granite - greenstone terranes in general, are implicitly dependent on the assumption that greenstone belt lithologies rest unconformably upon older gneissic basement. Other models require originally large separations between gneissic terranes and greenstone belts. A key question relating to the tectonics of greenstone belts is therefore the original spatial relationship between the volcanic assemblages and presumed-basement gneisses, and how this relationship has been modified by subsequent deformation. What remains unclear in these examples is the significance of the so-called later faulting of the greenstone - gneiss contacts. Where unconformities between gneisses and overlying sediments are indisputable, such as at Point Lake, the significance of faults which occur below the base of the volcanic succession also needs to be evaluated. As part of an on-going investigation aimed at answering these and other questions, the extremely well-exposed Cameron River Greenstone Belt and the Sleepy Dragon Metamorphic Complex in the vicinity of Webb Lake and Sleepy Dragon Lake was mapped.

Kusky, T. M.↗

Computational and experimental investigation of cavity flowfields

This paper presents a computational and experimental investigation of supersonic flow past a cavity in a flat plate. The source of the particular interest in this problem is the ongoing study of the aerodynamic interference effects between a separating store and its bay in the parent body. An upwind relaxation scheme, utilizing flux vector splitting and line-Gauss-Seidel iterations, is used to solve Reynolds-averaged Navier-Stokes equations. Spatial discretizations of this two-dimensional analysis are based on implicit and finite-volume methods. Turbulence is modeled and shocks are captured. The flowfield of the symmetry plane at the half-width is computationally visualized and all flow properties are computed. Experimental tests are conducted in the Langley Unitary Plan Wind Tunnel to measure wall pressures and to capture schlieren photographs. Qualitative as well as quantitative data of computations and experiments agree very well. These two vehicles of investigation are merged to show open, closed and transitional cavity flow behaviors.

Baysal, O.↗

Evaluation of a research circulation control airfoil using Navier-Stokes methods

The compressible Reynolds time averaged Navier-Stokes equations were used to obtain solutions for flows about a two dimensional circulation control airfoil. The governing equations were written in conservation form for a body-fitted coordinate system and solved using an Alternating Direction Implicit (ADI) procedure. A modified algebraic eddy viscosity model was used to define the turbulent characteristics of the flow, including the wall jet flow over the Coanda surface at the trailing edge. Numerical results are compared to experimental data obtained for a research circulation control airfoil geometry. Excellent agreement with the experimental results was obtained.

Shrewsbury, George D.↗

A numerical classical flutter analysis of advanced propellers

A three-dimensional Euler solver is coupled with a three-dimensional structural dynamics model to investigate flutter of propfans. An implicit-explicit hybrid scheme is used to reduce computational time for the solution of Euler equations. The aeroelastic equations are formulated in normal modes and are solved for flutter in frequency domain. The required generalized forces are obtained using a pulse response method. Computations show that the instability is dominated by the second mode frequency as was observed in experiment.

Srivastava, R.↗

Three-dimensional Navier-Stokes heat transfer predictions for turbine blade rows

Results are shown for a three-dimensional Navier-Stokes analysis of both the flow and the surface heat transfer for turbine applications. Heat transfer comparisons are made with the experimental shock-tunnel data of Dunn and Kim, and with the data of Blair for the rotor of the large scale rotating turbine. The analysis was done using the steady-state, three-dimensional, thin-layer Navier-Stokes code developed by Chima, which uses a multistage Runge-Kutta scheme with implicit residual smoothing. An algebraic mixing length turbulence model is used to calculate turbulent eddy viscosity. The variation in heat transfer due to variations in grid parameters is examined. The effects of rotation, tip clearance, and inlet boundary layer thickness variation on the predicted blade and endwall heat transfer are examined.

Boyle, R. J.↗

Three-dimensional Navier-Stokes heat transfer predictions for turbine blade rows

Results are shown for a three-dimensional Navier-Stokes analysis of both the flow and the surface heat transfer for turbine applications. Heat transfer comparisons are made with the experimental shock-tunnel data of Dunn and Kim, and with the data of Blair for the rotor of the large scale rotating turbine. The analysis was done using the steady-state, three-dimensional, thin-layer Navier-Stokes code developed by Chima, which uses a multistage Runge-Kutta scheme with implicit residual smoothing. An algebraic mixing length turbulence model is used to calculate turbulent eddy viscosity. The variation in heat transfer due to variations in grid parameters is examined. The effects of rotation, tip clearance, and inlet boundary layer thickness variation on the predicted blade and endwall heat transfer are examined.

Boyle, Robert J.↗

Flux-difference split parabolized Navier-Stokes algorithm for non-equilibrium chemically reacting flows

A flux-difference split explicit finite-difference algorithm is presented for solving the parabolized form of the equations governing three-dimensional nonequilibrium chemically reacting flows. The algorithm is based on an explicit noniterative, upwind space-marching scheme developed by Korte, but differs in that the unsteady Riemann problem, rather than the steady Riemann problem, is solved. The algorithm allows either a second or an approximately third-order accurate upwind treatment of the convection terms by employing the unsteady approximate Riemann solver of Roe. The source terms of the species transport equations are treated in either an explicit or implicit manner, and the species diffusion terms are modeled with either a Fickian or a multicomponent model. A validation of the algorithm is performed by comparing computational results with the 2-D Mach 14, 15 degree compression-corner data of Holden. The three-dimensional capability of the algorithm is demonstrated by computing Mach 2.7 flow over a swept wedge scramjet fuel injector, and three-dimensional reacting flow capability is demonstrated by a computing a shock-jet interaction concept for mixing and combustion enhancement.

White, J. A.↗

Studies of Plasma Flow Past Jupiter's Galilean Satellites

We have investigated the interaction of Io, Jupiter's innermost Galilean satellite, with the Io plasma torus, using our semi-implicit time-dependent 3D MHD code to model the plasma interactions. We have used the same code to model the plasma interaction at Ganymede.

Linker, Jon A.↗

thornado-transport: Anderson- and GPU-accelerated nonlinear solvers for neutrino-matter coupling

Algorithms for neutrino-matter coupling in core-collapse supernovae (CCSNe) are investigated in the context of a spectral two-moment model, which is discretized in space with the discontinuous Galerkin method, integrated in time with implicit-explicit (IMEX) methods, and implemented in the toolkit for high-order neutrino-radiation hydrodynamics (thornado). The model considers electron neutrinos and antineutrinos and tabulated opacities from Bruenn (1985), which includes neutrino-electron scattering and pair processes. The nonlinear system arising from implicit time discretization of the equations governing neutrino-matter coupling is iterated to convergence using Anderson-accelerated fixed-point methods, which avoid formation of Jacobians and inversion of dense linear systems. Numerical experiments show that, for a given tolerance, a nested iteration scheme which aims to reduce opacity evaluations can lower the computational cost. Our initial port to GPUs, using both OpenMP and OpenACC, shows an overall speedup of up to ~ 100× when compared to results using a single CPU core. These results indicate that the algorithms implemented in thornado are well-suited to GPU acceleration.

Laiu, Paul↗

Uncertainty-Informed Volume Visualization using Implicit Neural Representation

The increasing adoption of Deep Neural Networks (DNNs) has led to their application in many challenging scientific visualization tasks. While advanced DNNs offer impressive generalization capabilities, understanding factors such as model prediction quality, robustness, and uncertainty is crucial. These insights can enable domain scientists to make informed decisions about their data. However, DNNs inherently lack ability to estimate prediction uncertainty, necessitating new research to construct robust uncertainty-aware visualization techniques tailored for various visualization tasks. In this work, we propose uncertainty-aware implicit neural representations to model scalar field data sets effectively and comprehensively study the efficacy and benefits of estimated uncertainty information for volume visualization tasks. We evaluate the effectiveness of two principled deep uncertainty estimation techniques: (1) Deep Ensemble and (2) Monte Carlo Dropout (MC-Dropout). These techniques enable uncertainty-informed volume visualization in scalar field data sets. Our extensive exploration across multiple data sets demonstrates that uncertainty-aware models produce informative volume visualization results. Moreover, integrating prediction uncertainty enhances the trustworthiness of our DNN model, making it suitable for robustly analyzing and visualizing real-world scientific volumetric data sets.

Saklani, Shanu↗

Genetic Network Inference: From Co-Expression Clustering to Reverse Engineering

Advances in molecular biological, analytical, and computational technologies are enabling us to systematically investigate the complex molecular processes underlying biological systems. In particular, using high-throughput gene expression assays, we are able to measure the output of the gene regulatory network. We aim here to review datamining and modeling approaches for conceptualizing and unraveling the functional relationships implicit in these datasets. Clustering of co-expression profiles allows us to infer shared regulatory inputs and functional pathways. We discuss various aspects of clustering, ranging from distance measures to clustering algorithms and multiple-duster memberships. More advanced analysis aims to infer causal connections between genes directly, i.e., who is regulating whom and how. We discuss several approaches to the problem of reverse engineering of genetic networks, from discrete Boolean networks, to continuous linear and non-linear models. We conclude that the combination of predictive modeling with systematic experimental verification will be required to gain a deeper insight into living organisms, therapeutic targeting, and bioengineering.

Dhaeseleer, Patrik↗

Solvent Dynamics Are Critical to Understanding Carbon Dioxide Dissolution and Hydration in Water

Simulations of carbon dioxide (CO 2 ) in water may aid in understanding the impact of its accumulation in aquatic environments and help advance technologies for carbon capture and utilization (via, e.g., mineralization). Quantum mechanical (QM) simulations based on static molecular models with polarizable continuum solvation poorly reproduce the energetics of CO 2 hydration to form carbonic acid in water, independent of the level of QM theory employed. Only with density-functional-theory-based molecular dynamics and rare-event sampling, followed by energy corrections based on embedded correlated wavefunction theory (in conjunction with density functional embedding theory), can a close agreement between theory and experiment be achieved. Such multilevel simulations can serve as benchmarks for simpler, less costly models, giving insight into potential errors of the latter. The strong influence of sampling/averaging over dynamical solvent configurations on the energetics stems from the difference in polarity of both the transition state and product (both polar) versus the reactant (nonpolar). When a solute undergoes a change in polarity during reaction, affecting its interaction with the solvent, careful assessment of the energetic contribution of the solvent response to this change is critical. Here, we show that static models (without structural sampling) that incorporate three explicit water molecules can yield far superior results than models with more explicit water molecules because fewer water molecules yield less configurational artifacts. Static models intelligently incorporating both explicit (molecules directly participating in the reaction) and implicit solvation, along with a proper QM theory, e.g., CCSD(T) for closed-shell systems, can close the accuracy gap between static and dynamic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Avoiding pitfalls in molecular simulation of vapor sorption: Example of propane and isobutane in metal–organic frameworks for adsorption cooling applications

This study introduces recommendations for conducting molecular simulations of vapor adsorption, with an emphasis on enhancing the accuracy, reproducibility, and comparability of results. The first aspect we address is consistency in the implementation of some details of typical molecular models, including tail corrections and cutoff distances, due to their significant influence on generated data. We highlight the importance of explicitly calculating the saturation pressures at relevant temperatures using methods such as Gibbs ensemble Monte Carlo simulations and illustrate some pitfalls in extrapolating saturation pressures using this method. For grand canonical Monte Carlo (GCMC) simulations, the input fugacity is usually calculated using an equation of state, which often requires the critical parameters of the fluid. We show the importance of using critical parameters derived from the simulation with the same model to ensure internal consistency between the simulated explicit adsorbate phase and the implicit bulk phase in GCMC. We show the advantages of presenting isotherms on a relative pressure scale to facilitate easier comparison among models and with experiment. Extending these guidelines to a practical case study, we evaluate the performance of various isoreticular metal–organic frameworks (MOFs) in adsorption cooling applications. This includes examining the advantages of using propane and isobutane as working fluids and identifying MOFs with a superior performance.

36 MATERIALS SCIENCE↗