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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 739 records · Page 41

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NASA NTRS2021

Hypersonic Boundary-Layer Transition on Blunted Cones at Angle of Attack

Experimental studies of cones at several high-speed facilities have demonstrated that, for small nosetip bluntness, transition onset over a circular cone moves upstream along the leeward side and downstream along the windward side, but this trend may be reversed at large bluntness values, where transition onset moves downstream along the leeward side and upstream along the windward side. A theoretical and numerical investigation is performed to characterize the effects of nose bluntness on disturbance amplification over the circular cone for several angles of attack, with the goal of understanding the potential physical mechanisms behind the experimental observations. The three-dimensional laminar basic states over a 1.5 m long, 7-degree half-angle cone with 9.525 mm nosetip radius are computed for selected angles of attack values and freestream conditions that are selected to match the Mach 10 experiments conducted within the Hypervelocity Wind Tunnel 9 at the Arnold Engineering Development Complex (AEDC). The solutions at a freestream unit Reynolds number of 17.1 million per meter are used to perform detailed instability analyses for angles of attack equal to 0, 1, 3, and 5 degrees. Results indicate that the linear amplification of stationary crossflow waves along inflection lines may begin to influence transition along the acreage of the cone for angles of attack equal to or larger than 5 degrees. The measured trend in transition front with respect to increasing angle of attack is found to be consistent with the predicted increase in the amplification factors for Mack mode disturbances along the streamline trajectories. The increase in Mack mode amplification along the windward ray for higher angles of attack is shown to be the result of a progressively earlier entropy-layer swallowing. Computations also indicate that the transition amplification factor along the windward ray is not constant and increases with the angle of attack and that the transition #-factors along the leeward ray are rather small. The nonmodal analysis for zero degrees angle of attack shows that entropy-layer disturbances with appreciably strong energy growth can coexist with Mack mode instabilities at the measured transition location.

Boundary Layer Transition↗

DOE OSTI2025

REBOUND: Reverse Engineering Bidirectional Outflow Under Non-Equilibrium Diffusion

Rare-earth elements (REEs) are essential for electronics, renewable energy, and defense technologies. However, the current supply of REEs relies on mining concentrated in a few countries and energy-intensive separations. DOE’s Basic Energy Sciences (BES) program has launched a grand challenge which aims to ensure a sustainable supply of critical REEs by developing innovative and environmentally friendly separation methods. As an alternative to costly and harmful traditional methods, the Non-Equilibrium Transport Driven Separations (NETS) initiative has created a microfluidic Y-channel co-flow method that applies external fields to exploit magneto- and electrohydrodynamic effects for separating dilute REE ions from complex feedstocks. Computational fluid dynamics (CFD) studies have identified a few operating conditions with promising ion selectivity and separation efficiency. However, challenges remain regarding Y-channel versatility across feedstocks and accurate incorporation of physical phenomena into CFD models. In this work, we develop a multi-fidelity modelling approach which integrates experimental results with CFD simulation to build a surrogate model for the dependence of separation efficiency to variation of design parameters. The surrogate model enables a reinforcement learning (RL) method to adaptively launch CFD and experimental runs, improving model fidelity around optimal Y-channel parameters.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Parabolized reduced Navier-Stokes computational techniques

A review is presented of methods in which composite or reduced Navier-Stokes (RNS) equations are treated with a pressure-gradient-based flux-vector splitting. The methods are similar to large Re asymptotic formulations, and streamwise diffusion terms are ignored in favor of an explicit deferred corrector based on higher-order diffusion terms. The methods can be used for 2D and 3D supersonic flows in which the effects of real gas are incorporated. Several examples of the procedure are given, and subsonic and supersonic flows are handled well with relaxation procedures that incorporate multigrid acceleration. Effective solutions are described for problems ranging from incompressible flows and supersonic flows to sharp shocks and reverse-flow capturing.

Rubin, Stanley G.↗

DOE OSTI2021

A light-induced phononic symmetry switch and giant dissipationless topological photocurrent in ZrTe 5

Dissipationless currents from topologically protected states are promising for disorder-tolerant electronics and quantum computation. In this work, we photogenerate giant anisotropic terahertz nonlinear currents with vanishing scattering, driven by laser-induced coherent phonons of broken inversion symmetry in a centrosymmetric Dirac material ZrTe 5 . Our work suggests that this phononic terahertz symmetry switching leads to formation of Weyl points, whose chirality manifests in a transverse, helicity-dependent current, orthogonal to the dynamical inversion symmetry breaking axis, via circular photogalvanic effect. The temperature-dependent topological photocurrent exhibits several distinct features: Berry curvature dominance, particle–hole reversal near conical points and chirality protection that is responsible for an exceptional ballistic transport length of ~10 μm. These results, together with first-principles modelling, indicate two pairs of Weyl points dynamically created by B 1u phonons of broken inversion symmetry. Such phononic terahertz control breaks ground for coherent manipulation of Weyl nodes and robust quantum transport without application of static electric or magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Voltage waveform tailoring for high aspect ratio plasma etching of SiO 2 using Ar/CF 4 /O 2 mixtures: Consequences of ion and electron distributions on etch profiles

The quality of high aspect ratio (HAR) features etched into dielectrics for microelectronics fabrication using halogen containing low temperature plasmas strongly depends on the energy and angular distribution of the incident ions (IEAD) onto the wafer, as well as potentially that of the electrons (EEAD). Positive ions, accelerated to high energies by the sheath electric field, have narrow angular spreads and can penetrate deeply into HAR features. Electrons typically arrive at the wafer with nearly thermal energy and isotropic angular distributions and so do not directly penetrate deeply into features. These differences can lead to positive charging of the insides of the features that can slow etching rates and produce geometric defects such as twisting. In this work, we computationally investigated the plasma etching of HAR features into SiO 2 using tailored voltage waveforms in a geometrically asymmetric capacitively coupled plasma sustained in an Ar/CF 4 /O 2 mixture at 40 mTorr. The tailored waveform consisted of a sinusoidal wave and its higher harmonics with a fundamental frequency of 1 MHz. We found that some degree of control of the IEADs and EEADs is possible by adjusting the phase of higher harmonics φ through the resulting generation of electrical asymmetry and electric field reversal. However, the IEADs and EEADs cannot easily be separately controlled. The control of IEADs and EEADs is inherently linked. The highest quality feature was obtained with a phase angle φ = 0° as this value generated the largest (most negative) DC self-bias and largest electric field reversal for accelerating electrons into the feature. That said, the consequences of voltage waveform tailoring (VWT) on etched features are dominated by the change in the IEADs. Although VWT does produce EEADs with higher energy and narrower angular spread, the effect of these electrons on the feature compared to thermal electrons is not large. Finally, this smaller impact of VWT produced EEADs is attributed to thermal electrons being accelerated into the feature by electric fields produced by the positive in-feature charging.

47 OTHER INSTRUMENTATION↗

NASA NTRS1991

A kinematic analysis of the Space Station remote manipulator system (SSRMS)

An efficient reverse analysis of three 6-degree-of-freedom (dof) subchains of the 7-dof SSRMS is presented. The first subchain is formed by locking the seventh joint. The second subchain is formed by locking the second joint, while the third subchain is formed by locking the first joint (the grounded joint is counted as the first joint in the chain). There are a maximum of eight different arm configurations in each of the three subchains, and these were determined by employing a computer-efficient algorithm, which required the rooting of only at most quadratic polynomials. The algorithms were implemented, and the SSRMS was employed in an animated environment to perform and practice a number of useful tasks for Space Station servicing. The locking of the second joint has the advantage in that an operator can choose the orientation of the plane that contains the two longest links so as to avoid collisions with obstacles. However, it has the disadvantage that when the second joint angle equals 0 deg or 180 deg, the manipulator is in a singularity configuration. This plane can also be oriented by specifying the first joint angle, so that the plane can be oriented arbitrarily and, in this, the singularity is avoided.

Crane, Carl D., III↗

NASA NTRS2000

Numerical Simulation of a Chemically Reacting Sorbent Bed for LSS Applications

A detailed numerical model of a chemisorption bed has been developed. The model is based on the constant pressure mass transport equation for gaseous flow through a packed bed, and the equation for diffusion and reaction within a spherical particle. Because there is a wealth of data from the NASA and the Navy bodies of literature, the LiOH-H2O-CO2 system is chosen for application of the model and interpretation of results. Prior models of this system from the life support literature are limited. The current model incorporates many of the features of elaborate models developed for investigation of industrial systems or energy applications (e.g., coal, desulphurization): it distinguishes bulk convection and bed dispersion; mass transport to the particle surface, transport within the particle, and reaction. It uses the nonsteady (not pseudo-steady state) form of the equations. The chemistry is modeled as a multi-step, reversible reaction with evolving solid structure. The resulting system of equations is large. The ODEPACK family of solvers is used to integrate the system. Reaction coefficients are determined by experiment. Typical results of the model are illustrated with mission input parameters. Using the model, an explanation is offered for 1) the varied performance results found after pre-breathing (or after simulated pre-breathe conditions), 2) interrupted use and 3) low temperature use. In addition, options for a reusable canister are explored. The computational resource implications of adding energy equations are discussed briefly, as are applicability to other relevant space and undersea systems.

Luna, Bernadette↗

NASA NTRS1992

Internal reversing flow in a tailpipe offtake configuration for SSTOVL aircraft

A generic one-third scale model of a tailpipe offtake system for a supersonic short takeoff vertical landing (SSTOVL) aircraft was tested at LeRC Powered Lift Facility. The model consisted of a tailpipe with twin elbows, offtake ducts, and flow control nozzles, plus a small ventral nozzle and a blind flange to simulate a blocked cruise nozzle. The offtake flow turned through a total angle of 177 degrees relative to the tailpipe inlet axis. The flow split was 45 percent to each offtake and 10 percent to the ventral nozzle. The main test objective was to collect data for comparison to the performance of the same configuration predicted by a computational fluid dynamics (CFD) analysis. Only the experimental results are given - the analytical results are published in a separate paper. Performance tests were made with unheated air at tailpipe-to-ambient pressure ratios up to 5. The total pressure loss through the offtakes was as high as 15.5 percent. All test results are shown as graphs, contour plots, and wall pressure distributions. The complex flow patterns in the tailpipe and elbows at the offtake openings are described with traversing flow angle probe and paint streak flow visualization data.

Mcardle, Jack G.↗

NASA NTRS1992

Internal reversing flow in a tailpipe offtake configuration for SSTOVL aircraft

Mcardle, Jack G.↗

NASA NTRS2001

Lyapunov-Based Sensor Failure Detection And Recovery For The Reverse Water Gas Shift Process

Livingstone, a model-based AI software system, is planned for use in the autonomous fault diagnosis, reconfiguration, and control of the oxygen-producing reverse water gas shift (RWGS) process test-bed located in the Applied Chemistry Laboratory at KSC. In this report the RWGS process is first briefly described and an overview of Livingstone is given. Next, a Lyapunov-based approach for detecting and recovering from sensor failures, differing significantly from that used by Livingstone, is presented. In this new method, models used are in terms of the defining differential equations of system components, thus differing from the qualitative, static models used by Livingstone. An easily computed scalar inequality constraint, expressed in terms of sensed system variables, is used to determine the existence of sensor failures. In the event of sensor failure, an observer/estimator is used for determining which sensors have failed. The theory underlying the new approach is developed. Finally, a recommendation is made to use the Lyapunov-based approach to complement the capability of Livingstone and to use this combination in the RWGS process.

Haralambous, Michael G.↗

DOE OSTI2021

Nickel B-site substitution in bulk Sr 1-x Ca x FeO 3 perovskite oxygen carriers: Benefits and limitations

We report oxygen (O 2 ) storage materials often rely on the presence of cobalt (Co) to reduce the thermodynamic penalty and increase the kinetics necessary for efficient O 2 storage and release. In this work, we investigate nickel (Ni) as an alternative B-site dopant in Sr 1-x Ca x FeO 3 to identify Co-free carriers that still show improved kinetics at low temperatures. In fact, we show a substantial increase in the reversible O2 release rate through mild Ni B-site substitution (y = 0.06) in select Sr 1-x Ca x Fe 1-y Ni y O 3 systems at 400 to 500 °C, reaching 2.00 wt.% O 2 release up to approximately 75% faster than Ni-free systems. To explain the role of Ni in these systems, we use density functional theory to calculate the O 2 vacancy (V O ) formation energy from separate metal-oxygen (M-O) bonding and relaxation components. We computationally show elongated Ni-O bonds are directly responsible for the decrease in V O upon Ni substitution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Mesospheric Non-Migrating Tides Generated With Planetary Waves: II Influence of Gravity Waves

We demonstrated that, in our model, non-linear interactions between planetary waves (PW) and migrating tides could generate in the upper mesosphere non-migrating tides with amplitudes comparable to those observed. The Numerical Spectral Model (NSM) we employ incorporates Hines Doppler Spread Parameterization for small-scale gravity waves (GW), which affect in numerous ways the dynamics of the mesosphere. The latitudinal (seasonal) reversals in the temperature and zonal circulation, which are largely caused by GWs (Lindzen, 198l), filter the PWs and contribute to the instabilities that generate the PWs. The PWs in turn are amplified by the momentum deposition of upward propagating GWs, as are the migrating tides. The GWs thus affect significantly the migrating tides and PWs, the building blocks of non-migrating tides. In the present paper, we demonstrate that GW filtering also contributes to the non-linear coupling between PWs and tides. Two computer experiments are presented to make this point. In one, we simply turn off the GW source to show the effect. In the second case, we demonstrate the effect by selectively suppressing the momentum source for the m = 0 non-migrating tides.

Mayr, H. G.↗

NASA NTRS1986

ALESEP. Part 2: A computer program for the analysis of leading edge separation bubbles on infinite swept wings

A program called ALESEP is presented for the analysis of the inviscid-viscous interaction which occurs due to the presence of a closed laminar-transitional separation bubble on an airfoil or infinite swept wing. The ALESEP code provides an iterative solution of the boundary layer equations expressed in an inverse formulation coupled to a Cauchy integral representation of the inviscid flow. This interaction analysis is treated as a local perturbation to a known solution obtained from a global airfoil analysis; hence, part of the required input to the ALESEP code are the reference displacement thickness and tangential velocity distributions. Special windward differencing may be used in the reversed flow regions of the separation bubble to accurately account for the flow direction in the discretization of the streamwise convection of momentum. The ALESEP code contains a forced transition model based on a streamwise intermittency function, a natural transition model based on a solution of the integral form of the turbulent kinetic energy equation, and an empirical natural transition model.

Davis, R. L.↗

DOE OSTI2023

Mixed quantum/classical theory for rotational energy exchange in symmetric-top-rotor + linear-rotor collisions and a case study of the ND 3 + D 2 system

The extension of mixed quantum/classical theory (MQCT) to describe collisional energy transfer is developed for a symmetric-top-rotor + linear-rotor system and is applied to ND 3 + D 2 . State-to-state transition cross sections are computed in a broad energy range for all possible processes: when both ND 3 and D 2 molecules are excited or both are quenched, when one is excited while the other is quenched and vice versa, when the ND 3 state changes its parity while D 2 is excited or quenched, and when ND 3 is excited or quenched while D 2 remains in the same state, ground or excited. In all these processes the results of MQCT are found to approximately satisfy the principle of microscopic reversibility. For a set of sixteen state-to-state transitions available from the literature for a collision energy of 800 cm –1 the values of cross sections predicted by MQCT are within 8% of accurate full-quantum results. A useful time-dependent insight is obtained by monitoring the evolution of state populations along MQCT trajectories. It is shown that, if before the collision, D 2 is in its ground state, the excitation of ND 3 rotational states proceeds through a two-step mechanism in which the kinetic energy of molecule–molecule collision is first used to excite D 2 and only then is transferred to the excited rotational states of ND 3 . Finally, it is found that both potential coupling and Coriolis coupling play important roles in ND 3 + D 2 collisions.

inelastic cross-sections↗

DOE OSTI2022

Novel superposed kinklike and pulselike solutions for several nonlocal nonlinear equations

In this work, we show that a number of nonlocal nonlinear equations, including the Ablowitz–Musslimani and Yang variant of the nonlocal nonlinear Schrödinger (NLS) equation, the nonlocal modified Korteweg de Vries (mKdV) equation, and the nonlocal Hirota equation, admit novel kinklike and pulselike superposed periodic solutions. Furthermore, we show that the nonlocal mKdV equation also admits the superposed (hyperbolic) kink–antikink solution. In addition, we show that while the nonlocal Ablowitz–Musslimani variant of the NLS admits complex parity-time reversal-invariant kink and pulse solutions, neither the local NLS nor the Yang variant of the nonlocal NLS admits such solutions. Finally, except for the Yang variant of the nonlocal NLS, we show that the other three nonlocal equations admit both the kink and pulse solutions in the same model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Accelerated kinetic model for global macro stability studies of high-beta fusion reactors

The field reversed configuration (FRC), such as studied in the C-2W experiment at TAE Technologies, is an attractive candidate for realizing a nuclear fusion reactor. In an FRC, kinetic ion effects play the majority role in macroscopic stability, which allows global stability studies to make use of fluid-kinetic hybrid (also referred to as Ohm's law) models wherein ions are treated kinetically while electrons are treated as a fluid. The development and validation of such a hybrid particle-in-cell algorithm in the Exascale Computing Project code WarpX are reported here. Implementation of this model in the WarpX framework benefits from the numerical efficiency of WarpX as well as its scalability on large HPC systems and portability to different architectures. Performance benchmarks of the new algorithm for large, 3-dimensional, full device simulations from the Perlmutter supercomputer are presented. Results of a series of FRC simulations are discussed in which the impact of two-fluid effects on the tilt-mode growth rate was studied. It was observed that, in agreement with previous Hall-MHD studies, two-fluid effects have a stabilizing impact on the tilt mode.

Physics↗

NASA NTRS1989

On the large-eddy simulation of transitional wall-bounded flows

The structure of the subgrid scale fields in plane channel flow has been studied at various stages of the transition process to turbulence. The residual stress and subgrid scale dissipation calculated using velocity fields generated by direct numerical simulations of the Navier-Stokes equations are significantly different from their counterparts in turbulent flows. The subgrid scale dissipation changes sign over extended areas of the channel, indicating energy flow from the small scales to the large scales. This reversed energy cascade becomes less pronounced at the later stages of transition. Standard residual stress models of the Smagorinsky type are excessively dissipative. Rescaling the model constant improves the prediction of the total (integrated) subgrid scale dissipation, but not that of the local one. Despite the somewhat excessive dissipation of the rescaled Smagorinsky model, the results of a large eddy simulation of transition on a flat-plate boundary layer compare quite well with those of a direct simulation, and require only a small fraction of the computational effort. The inclusion of non-dissipative models, which could lead to further improvements, is proposed.

Piomelli, Ugo↗

NASA NTRS1990

On the large-eddy simulation of transitional wall-bounded flows

Piomelli, Ugo↗