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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Metastable‐State Photoacids with Fast Reverse Reactions

Metastable-state photoacid (mPAH) has become a common tool for controlling and driving chemical processes with light. mPAHs with fast reverse reactions are desirable for precise temporal control or generating quick pulses of proton concentration. Here, in this work, different approaches towards fast reversing mPAHs are studied. Experimental and computational results showed that stabilizing the charge–transfer intermediate is an effective way to increase the rate. A novel mPAH with a reverse reaction ≈500 times faster than the most used mPAH in methanol is developed. Another water-soluble mPAH showed a reverse reaction with a rate constant of 7.8 s −1 , which is the fastest ever reported. The half-life of the acidic state is calculated to be 89 ms, which allowed to demonstrate sub-second switching using this mPAH.

Abbood, Rana [Florida Institute of Technology, Mel↗
DOE OSTI2020

Time-reversal of an unknown quantum state

For decades, researchers have sought to understand how the irreversibility of the surrounding world emerges from the seemingly time-symmetric, fundamental laws of physics. Quantum mechanics conjectured a clue that final irreversibility is set by the measurement procedure and that the time-reversal requires complex conjugation of the wave function, which is overly complex to spontaneously appear in nature. Building on this Landau-Wigner conjecture, it became possible to demonstrate that time-reversal is exponentially improbable in a virgin nature and to design an algorithm artificially reversing a time arrow for a given quantum state on the IBM quantum computer. However, the implemented arrow-of-time reversal embraced only the known states initially disentangled from the thermodynamic reservoir. Here we develop a procedure for reversing the temporal evolution of an arbitrary unknown quantum state. This opens the route for general universal algorithms sending temporal evolution of an arbitrary system backward in time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Electrochemical Random-Access Memory: Progress, Perspectives, and Opportunities

Non-von Neumann computing using neuromorphic systems based on analogue synaptic and neuronal elements has emerged as a potential solution to tackle the growing need for more efficient data processing, but progress toward practical systems has been stymied due to a lack of materials and devices with the appropriate attributes. Recently, solid state electrochemical ion-insertion, also known as electrochemical random access memory (ECRAM) has emerged as a promising approach to realize the needed device characteristics. ECRAM is a three terminal device that operates by tuning electronic conductance in functional materials through solid-state electrochemical redox reactions. This mechanism can be considered as a gate-controlled bulk modulation of dopants and/or phases in the channel. Early work demonstrating that ECRAM can achieve nearly ideal analogue synaptic characteristics has sparked tremendous interest in this approach. More recently, the realization that electrochemical ion insertion can be used to tune the electronic properties of many types of materials including transition metal oxides, layered two-dimensional materials, organic and coordination polymers, and that the changes in conductance can span orders of magnitude has further attracted interest in ECRAM as the basis for analogue synaptic elements for inference accelerators as well as for dynamical devices that can emulate a wide range of neuronal characteristics for implementation in analogue spiking neural networks. At its core, ECRAM shares many fundamental aspects with rechargeable batteries, where ion insertion materials are used extensively for their ability to reversibly store charge and energy. Computing applications, however, present drastically different requirements: systems will require many millions of devices, scaled down to tens of nanometers, all while achieving reliable electronic-state tuning at scaled-up rates and endurances, and with minimal energy dissipation and noise. Further, in this review, we discuss the history, basic concepts, recent progress, as well as the challenges and opportunities for different types of ECRAM, broadly grouped by their primary mobile ionic charge carrier, including Li, protons, and oxygen vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

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↗
DOE OSTI2023

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↗
NASA NTRS1972

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.↗
NASA NTRS1983

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.↗
NASA NTRS1928

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↗
NASA NTRS1995

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.↗
NASA NTRS2010

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↗
NASA NTRS2016

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↗
NASA NTRS1980

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.↗
NASA NTRS1986

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.↗
NASA NTRS2000

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↗
NASA NTRSDate not supplied

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↗
NASA NTRSDate not supplied

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↗
NASA NTRS1992

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.↗
NASA NTRS1995

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.↗