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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 145 records · Page 8

Iridium Complexes with Proton-Responsive Azole-Type Ligands as Effective Catalysts for CO 2 Hydrogenation

Pentamethylcyclopentadienyl iridium (Cp*Ir) complexes with bidentate ligands consisting of a pyridine ring and an electron-rich diazole ring were prepared. Their catalytic activity towards CO 2 hydrogenation in 2.0 M KHCO 3 aqueous solutions (pH 8.5) at 50 °C, under 1.0 MPa CO 2 /H 2 (1:1) have been reported as an alternative to photo- and electrochemical CO 2 reduction. Bidentate ligands incorporating an electron-rich diazole ring improved the catalytic performance of the Ir complexes compared to the bipyridine ligand. Complexes 2, 4 and 6, possessing both a hydroxy group and an uncoordinated NH group, which are proton-responsive and capable of generating pendent-bases in basic media, recorded high initial TOF values of 1300 h -1 , 1550 h -1 and 2000 h -1 , respectively. Here, spectroscopic and computational investigations revealed that the reversible deprotonation changes the electronic properties of the complexes and causes interactions between pendent base and substrate and/or solvent water molecules, resulting in the high catalytic performance in basic media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systematic Screening of COVID-19 Disease Based on Chest CT and RT-PCR for Cancer Patients Undergoing Radiation Therapy in a Coronavirus French Hotspot

Patients with cancer are presumed to be more vulnerable to COVID-19. We evaluated a screening strategy combining chest computed tomography (CT) and reverse-transcription polymerase chain reaction (RT-PCR) for patients treated with radiation therapy at our cancer center located in a COVID-19 French hotspot during the first wave of the pandemic.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

De novo designed ice-binding proteins from twist-constrained helices

Attaining molecular-level control over solidification processes is a crucial aspect of materials science. To control ice formation, organisms have evolved bewildering arrays of ice-binding proteins (IBPs), but these have poorly understood structure–activity relationships. We propose that reverse engineering using de novo computational protein design can shed light on structure–activity relationships of IBPs. We hypothesized that the model alpha-helical winter flounder antifreeze protein uses an unusual undertwisting of its alpha-helix to align its putative ice-binding threonine residues in exactly the same direction. We test this hypothesis by designing a series of straight three-helix bundles with an ice-binding helix projecting threonines and two supporting helices constraining the twist of the ice-binding helix. Our findings show that ice-recrystallization inhibition by the designed proteins increases with the degree of designed undertwisting, thus validating our hypothesis, and opening up avenues for the computational design of IBPs.

Science & Technology - Other Topics↗

Linear momentum transfer effects in molecular dissociation produced by electron impact.

In this study of molecular dissociation produced by electron impact, diatomic systems and polyatomic molecules are considered, and attention is given to the effects of thermal motion and of momentum transfer in the collision process. A procedure is described which makes it possible to 'construct' both the laboratory angular distribution and velocity distribution of the atomic fragments (or, alternatively, the time-of-flight distribution). The calculation assumes that s-wave electron scattering predominates, i.e., that excitation occurs near threshold. The computational procedure may also be reversed to allow construction of possible molecular models to fit given experimental angular and velocity distribution data.

Misakian, M.↗

A time-split finite-volume algorithm for three-dimensional flow-field simulation

A general finite-volume algorithm is developed for solving three-dimensional, time-dependent, compressible Navier-Stokes equations for high Reynolds number flows over an arbitrary geometry. This algorithm adapts MacCormack's (1982) explicit-implicit scheme to a time-split, three-dimensional finite-volume concept in a general coordinate system. It is shown that the thin-layer approximation in all three spatial directions significantly reduces the evaluation of viscous terms and allows the algorithm to solve more complicated geometries with all boundaries in two or all three directions. The calculated results using this method are found to be in good agreement with the experimental measurements of a blunt-fin induced shock wave and boundary-layer interaction problems. Observations of the existence of peak pressure, primary horseshoe and secondary vortices, and reversed supersonic zones show that computational fluid dynamics can effectively supplement the wind tunnel tests for aerodynamic design as well as for understanding basic fluid dynamics.

Hung, C. M.↗

Combustion time in the engine cylinder and its effect on engine performance

As part of a general program to study combustion in the engine cylinder and to correlate the phenomena of combustion with the observed performance of actual engines, this paper presents a sketchy outline of what may happen in the engine cylinder during the burning of a charge. It also suggests the type of information needed to supply the details of the picture and points out how combustion time and rate affect the performance of the engine. A theoretical concept of a flame front which is assumed to advance radially from the point of ignition is presented, and calculations based on the area and velocity of this flame and the density of the unburned gases are made to determine the mass rate of combustion. From this rate the mass which has been burned and the pressure at any instant during combustion are computed. This process is then reversed in an effort to determine actual rates of combustion and flame velocities from the pressures as recorded on indicator diagrams. The effects of different rates of combustion on engine performance are then discussed and the importance of proper spark advance is emphasized.

Marvin, Charles F , Jr↗

Film temperatures in the presence of cavitation

Numerical algorithms are developed and implemented for the treatment of laminar lubricating-film temperatures associated with cavitated regions. The reformation front, with its film-content discontinuity and flow reversal, is given special attention. Computational economy is achieved through the use of Lobatto-point locations for flow-property determinations.

Elrod, Harold G.↗

Anatomy of a Security Operations Center

Many agencies and corporations are either contemplating or in the process of building a cyber Security Operations Center (SOC). Those Agencies that have established SOCs are most likely working on major revisions or enhancements to existing capabilities. As principle developers of the NASA SOC; this Presenters' goals are to provide the GFIRST community with examples of some of the key building blocks of an Agency scale cyber Security Operations Center. This presentation viII include the inputs and outputs, the facilities or shell, as well as the internal components and the processes necessary to maintain the SOC's subsistence - in other words, the anatomy of a SOC. Details to be presented include the SOC architecture and its key components: Tier 1 Call Center, data entry, and incident triage; Tier 2 monitoring, incident handling and tracking; Tier 3 computer forensics, malware analysis, and reverse engineering; Incident Management System; Threat Management System; SOC Portal; Log Aggregation and Security Incident Management (SIM) systems; flow monitoring; IDS; etc. Specific processes and methodologies discussed include Incident States and associated Work Elements; the Incident Management Workflow Process; Cyber Threat Risk Assessment methodology; and Incident Taxonomy. The Evolution of the Cyber Security Operations Center viII be discussed; starting from reactive, to proactive, and finally to proactive. Finally, the resources necessary to establish an Agency scale SOC as well as the lessons learned in the process of standing up a SOC viII be presented.

Wang, John↗

Evolution of a Planar Wake in Adverse Pressure Gradient

In the interest of improving the predictability of high-lift systems at maximum lift conditions, a series of fundamental experiments were conducted to study the effects of adverse pressure gradient on a wake flow. Mean and fluctuating velocities were measured with a two-component laser-Doppler velocimeter. Data were obtained for several cases of adverse pressure gradient, producing flows ranging from no reversed flow to massively reversed flow. While the turbulent Reynolds stresses increase with increasing size of the reversed flow region, the gradient of Reynolds stress does not. Computations using various turbulence models were unable to reproduce the reversed flow.

Wake↗

On the importance of reverse current ohmic losses in electron-heated solar flare atmospheres

The passage of a beam of nonthermal electrons through the flaring solar atmosphere is considered, paying particular attention to the requirement that the beam be stable to the generation of plasma turbulence. The ratio is computed of energy losses due to reverse current ohmic heating, and heating by Coulomb collisions, respectively, for the greatest flux which can pass stably through the atmosphere. It is demonstrated that this ratio is determined by the low energy cutoff of the beam, by the electron temperature of the ambient atmosphere, and by the electron to ion temperature ratio. It is also independent of the atmospheric density.

Emslie, A. G.↗

Numerical solution of 2-D thrust reversing and thrust vectoring nozzle

The flowfield within and around two dimensional thrust reversing and thrust vectoring nozzles has been calculated using a new unfactored implicit method with a multiple zone grid. Computations are done for fully deployed thrust reversing nozzles, partially deployed thrust reversing nozzles with thrust vectoring, and a nozzle transitioning from partially to fully deployed. Agreement with available experimental data is good.

Imlay, S.↗

Study of the development of relativistic plasma bunches in a long mirror trap by optical and X-ray imaging and numerical simulations

The work presents experimental results demonstrating the feasibility of autoresonance acceleration of electrons in a long mirror trap with a reverse magnetic field. It is shown that gyromagnetic autoresonance results in the formation of a plasma bunch with average electron energy of several hundred keV, which is confined for a long time in the trap. The results of computer simulations of the regime of reverse gyromagnetic autoresonance agree well with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

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↗

Using Modeling and Simulation to Complement Testing for Increased Understanding of Weapon Subassembly Response.

As part of Sandia’s nuclear deterrence mission, the B61-12 Life Extension Program (LEP) aims to modernize the aging weapon system. Modernization requires requalification and Sandia is using high performance computing to perform advanced computational simulations to better understand, evaluate, and verify weapon system performance in conjunction with limited physical testing. The Nose Bomb Subassembly (NBSA) of the B61-12 is responsible for producing a fuzing signal upon ground impact. The fuzing signal is dependent upon electromechanical impact sensors producing valid electrical fuzing signals at impact. Computer generated models were used to assess the timing between the impact sensor’s response to the deceleration of impact and damage to major components and system subassemblies. The modeling and simulation team worked alongside the physical test team to design a large-scale reverse ballistic test to not only assess system performance, but to also validate their computational models. The reverse ballistic test conducted at Sandia’s sled test facility sent a rocket sled with a representative target into a stationary B61-12 (NBSA) to characterize the nose crush and functional response of NBSA components. Data obtained from data recorders and high-speed photometrics were integrated with previously generated computer models in order to refine and validate the model’s ability to reliably simulate real-world effects. Large-scale tests are impractical to conduct for every single impact scenario. By creating reliable computer models, we can perform simulations that identify trends and produce estimates of outcomes over the entire range of required impact conditions. Sandia’s HPCs enable geometric resolution that was unachievable before, allowing for more fidelity and detail, and creating simulations that can provide insight to support evaluation of requirements and performance margins. As computing resources continue to improve, researchers at Sandia are hoping to improve these simulations so they provide increasingly credible analysis of the system response and performance over the full range of conditions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Computational Assessment of Inlet Backflow Effects on Rotating Detonation Engine Performance and Operability

The performance impact of flow reversal at the inlet of an airbreathing rotating detonation engine (RDE) is investigated using 2 and 3-dimensional computational fluid dynamic (CFD) simulations. Flow reversal, or backflow, occurs in RDE inlets in the high-pressure region directly behind the rotating detonation front. This is also where most of the engine thrust or pressure gain is produced. The amount of backflow relative to throughflow depends on the inlet design. For the present work, a simple annular ‘slit’ design is used. The simulations are idealized in several ways, including that fuel and air are premixed, but prevented from reacting when within the inlet region. The results indicate that even with idealizations, the impact of inlet backflow on pressure gain can be substantial. The simulations also reveal an intriguing instability that develops in certain configurations. The mass flow rate into the RDE begins to oscillate at a regular frequency that is substantially less than the detonation rotational frequency. This is accompanied by oscillations in the detonation height. The oscillation amplitude grows over time until the detonation ultimately fails. Both the performance and instability results emphasize the need for carefully designed RDE inlets that provide low loss when flow is in the forward direction, but high resistance when the flow is reversed. Development of such high-diodicity inlets is critical to achieving pressure gain in airbreathing RDE’s.

Detonation↗

Computational Assessment of Inlet Backflow Effects on Rotating Detonation Engine Performance and Operability

The performance impact of flow reversal at the inlet of an airbreathing rotating detonation engine (RDE) is investigated using 2 and 3-dimensional computational fluid dynamic (CFD) simulations. Flow reversal, or backflow, occurs in RDE inlets in the high-pressure region directly behind the rotating detonation front. This is also where most of the engine thrust or pressure gain is produced. The amount of backflow relative to throughflow depends on the inlet design. For the present work, a simple annular ‘slit’ design is used. The simulations are idealized in several ways, including that fuel and air are premixed, but prevented from reacting when within the inlet region. The results indicate that even with idealizations, the impact of inlet backflow on pressure gain can be substantial. The simulations also reveal an intriguing instability that develops in certain configurations. The mass flow rate into the RDE begins to oscillate at a regular frequency that is substantially less than the detonation rotational frequency. This is accompanied by oscillations in the detonation height. The oscillation amplitude grows over time until the detonation ultimately fails. Both the performance and instability results emphasize the need for carefully designed RDE inlets that provide low loss when flow is in the forward direction, but high resistance when the flow is reversed. Development of such high-diodicity inlets is critical to achieving pressure gain in airbreathing RDE’s.

detonation↗

Coupled numerical simulation of the external and engine inlet flows for the F-18 at large incidence

This paper presents a numerical simulation of the external and engine inlet flows for the F-18 aircraft at typical high-angle-of-attack flight conditions. Two engine inlet mass flow rates, corresponding to flight idle and maximum power, were computed. This was accomplished using a structured, overset grid technique to couple the external and internal grid systems. Reynolds-averaged Navier-Stokes solutions were obtained using an implicit, finite-differencing scheme. Results show a strong coupling of the external and engine inlet flows, especially at the maximum power setting. Increasing the mass flow rate through the inlet caused the primary vortex breakdown location to move downstream. This trend is also observed in flight tests performed on the F-18. A reversed flow region upstream of the inlet duct is visible in the faired-inlet and flight-idle computations. This flow reversal is not present in the maximum power setting computation. These large-scale changes in flow structure highlight the importance of simulating inlet conditions in high-angle-of-attack aircraft computations.

Murman, Scott M.↗

Investigation of wing upper surface flow-field disturbance due to NASA DC-8-72 in-flight inboard thrust-reverser deployment

An investigation of the wing upper surface flow-field disturbance due to in-flight inboard thrust reverser deployment on the NASA DC-8-72, which was conducted cooperatively by NASA Ames, the Federal Aviation Administration (FAA), McDonnell Douglas, and the Aerospace Industry Association (AIA), is outlined and discussed in detail. The purpose of this flight test was to obtain tufted flow visualization data which demonstrates the effect of thrust reverser deployment on the wing upper surface flow field to determine if the disturbed flow regions could be modeled by computational methods. A total of six symmetric thrust reversals of the two inboard engines were performed to monitor tuft and flow cone patterns as well as the character of their movement at the nominal Mach numbers of 0.55, 0.70, and 0.85. The tufts and flow cones were photographed and video-taped to determine the type of flow field that occurs with and without the thrust reversers deployed. In addition, the normal NASA DC-8 onboard Data Acquisition Distribution System (DADS) was used to synchronize the cameras. Results of this flight test will be presented in two parts. First, three distinct flow patterns associated with the above Mach numbers were sketched from the motion videos and discussed in detail. Second, other relevant aircraft parameters, such as aircraft's angular orientation, altitude, Mach number, and vertical descent, are discussed. The flight test participants' comments were recorded on the videos and the interested reader is referred to the video supplement section of this report for that information.

Hamid, Hedayat U.↗