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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lattice Boltzmann simulation of the dissolution of slag in alkaline solution using real-shape particles

Highlights: • A dissolution numerical model was proposed to capture the real dissolution kinetics of slag in alkaline solution. • The log forward dissolution rate of Si was described as a function of NBO/T and solution pH. • A threshold solid volume fraction of 0.688 was found for a voxel in 3D, 63.8% larger than that for a pixel in 2D. • The proposed dissolution numerical model provides a reliable alternative to study the dissolution kinetics of slag. A dissolution numerical model was proposed in this study to capture the real dissolution kinetics of slag in alkaline solution. It consists of three modules, i.e. (i) simulation of the initial particle parking structure of slag in alkaline solution using real-shape particles of slag, (ii) simulation of the chemical reactions between slag and solution based on the transition state theory, and (iii) simulation of the physical transport of aqueous ions using the lattice Boltzmann method. This dissolution numerical model was verified using experimental results, showing reasonable accuracy. After verification, the dissolution numerical model was implemented to study the influences of temperature and particle shape using a proper recipe of slag in alkaline solution. This recipe was designed to avoid solid phase precipitation or gel formation via thermodynamic analysis. The simulation results showed faster dissolution kinetics of slag when using higher temperatures and more irregular particle shapes.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Energetics of high temperature degradation of fentanyl into primary and secondary products

Fentanyl is a synthetic opioid used for managing chronic pain. Due to its higher potency (50–100×) than morphine, fentanyl is also an abused drug. A sensor that could detect illicit fentanyl by identifying its thermally degraded fragments would be helpful to law enforcement. While experimental studies have probed the thermal degradation of fentanyl, little theoretical work has been done to understand the mechanism. Here, we studied the thermal degradation pathways of fentanyl using extensive ab initio molecular dynamics simulations combined with enhanced sampling via multiple-walker metadynamics. We calculated the free energy profile for each bond suggested earlier as a potential degradation point to map the thermodynamic driving forces. In conclusion, we also estimated the forward attempt rate of each bond degradation reaction to gain information about degradation kinetics.

Poudel, Bharat↗
DOE OSTI2024

Effects of fire and fire-induced changes in soil properties on post-burn soil respiration

Boreal forests cover vast areas of land in the northern hemisphere and store large amounts of carbon (C) both aboveground and belowground. Wildfires, which are a primary ecosystem disturbance of boreal forests, affect soil C via combustion and transformation of organic matter during the fire itself and via changes in plant growth and microbial activity post-fire. Wildfire regimes in many areas of the boreal forests of North America are shifting towards more frequent and severe fires driven by changing climate. As wildfire regimes shift and the effects of fire on belowground microbial community composition are becoming clearer, there is a need to link fire-induced changes in soil properties to changes in microbial functions, such as respiration, in order to better predict the impact of future fires on C cycling. We used laboratory burns to simulate boreal crown fires on both organic-rich and sandy soil cores collected from Wood Buffalo National Park, Alberta, Canada, to measure the effects of burning on soil properties including pH, total C, and total nitrogen (N). We used 70-day soil incubations and two-pool exponential decay models to characterize the impacts of burning and its resulting changes in soil properties on soil respiration. Laboratory burns successfully captured a range of soil temperatures that were realistic for natural wildfire events. We found that burning increased pH and caused small decreases in C:N in organic soil. Overall, respiration per gram total (post-burn) C in burned soil cores was 16% lower than in corresponding unburned control cores, indicating that soil C lost during a burn may be partially offset by burn-induced decreases in respiration rates. Simultaneously, burning altered how remaining C cycled, causing an increase in the proportion of C represented in the modeled slow-cycling vs. fast-cycling C pool as well as an increase in fast-cycling C decomposition rates. Together, our findings imply that C storage in boreal forests following wildfires will be driven by the combination of C losses during the fire itself as well as fire-induced changes to the soil C pool that modulate post-fire respiration rates. Moving forward, we will pair these results with soil microbial community data to understand how fire-induced changes in microbial community composition may influence respiration.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1978

Entry flight control system downmoding evaluation

A method to desensitize the entry flight control system to structural vibration feedback which might induce an oscillatory instability is described. Trends in vehicle response and handling characteristics as a function of gain combinations in the FCS forward and rate feedback loops were described as observed in a man-in-the-loop simulation. Among the flight conditions considered are the effects of downmoding with APU failures, off-nominal trajectory conditions, sensed angle of attack errors, the impact on RCS fuel consumption, performance in the presence of aero variations, recovery from large FCS upsets, and default gains.

Barnes, H. A.↗
NASA NTRS1988

Bandwidth and power efficient satellite TDMA demodulator and decoder

A proof-of-concept demodulator for TDMA applications requiring high total data rates composed of many low data rate users is proposed. High-spectrum efficiency is obtained via a bandwidth efficient combined modulation and coding system, and low TDMA overhead is obtained via a fast acquiring digital phase lock loop. The system employs a data rate of 200 Mb/s with a bit error rate of better than 5 x 10 to the -7th in the presence of adjacent channel interference 20 dB above the weakest user. The 8-PSK modulation combined with the rate 5/6 forward error correction coding results in a bandwidth efficiency of better than 2 bits/second per Hz.

Ames, Stephen A.↗
NASA NTRS2002

On-Orbit Performance Verification and End-To-End Characterization of the TDRS-H Ka-band Communications Payload

In June 2000, NASA launched the first of three next generation Tracking and Data Relay Satellites (TDRS-H) equipped with a Ka-band forward and return service capability. This Ka-band service supports forward data rates of up to 25 Mb/sec using the 22.55-23.55 GHz space-to-space allocation. Return services are supported via channel bandwidths of 225 and 650 MHz for data rates up to at least 800 Mb/sec using the 25.25 - 27.5 GHz space-to-space allocation. As part of NASA's acceptance of the TDRS-H spacecraft, an extensive on-orbit calibration, verification and characterization effort was performed to ensure that on-orbit spacecraft performance is within specified limits. This process verified the compliance of the Ka-band communications payload with all performance specifications, and demonstrated an end-to-end Ka-band service capability. This paper summarizes the results of the TDRS-H Ka-band communications payload on-orbit performance verification and end-to-end service characterization. Performance parameters addressed include antenna gain pattern, antenna Gain-to-System Noise Temperature (G/T), Effective Isotropically Radiated Power (EIRP), antenna pointing accuracy, frequency tunability, channel magnitude response, and Ka-band service Bit-Error-Rate (BER) performance.

Toral, Marco↗
NASA NTRS2002

On-Orbit Performance Verification and End-to-End Characterization of the TDRS-H Ka-Band Communications Payload

In June 2000, NASA launched the first of three next generation Tracking and Data Relay Satellites (TDRS-H) equipped with a Ka-band forward and return service capability. This Ka-band service supports forward data rates up to 25 Mb/sec using the 22.55 - 23.55 GHz space-to-space allocation. Return services are supported via channel bandwidths of 225 and 650 MHz for data rates up to 800 Mb/sec (QPSK) using the 25.25 - 27.5 GHz space-to-space allocation. As part of NASA's acceptance of the TDRS-H spacecraft, an extensive on-orbit calibration, verification and characterization effort was performed to ensure that on-orbit spacecraft performance is within specified limits. This process verified the compliance of the Ka-band communications payload with all performance specifications and demonstrated an end-to-end Ka-band service capability. This paper summarizes the results of the TDRS-H Ka-band communications payload on-orbit performance verification and end-to-end service characterization. Performance parameters addressed include Effective Isotropically Radiated Power (EIRP), antenna Gain-to-System Noise Temperature (G/T), antenna gain pattern, frequency tunability and accuracy, channel magnitude response, and Ka-band service Bit-Error-Rate (BER) performance.

Toral, Marco↗
NASA NTRS2008

Civil Service Workforce Market Supply and the Effect on the Cost Estimating Relationships (CERs) that may effect the Productivity Factors for Future NASA Missions

The upcoming retirement of the Baby Boomers on the horizon will leave a performance gap between younger generation (the future NASA decision makers) and the gray beards. This paper will reflect on the average age of workforce across NASA Centers, the Aerospace Industry and other Government Agencies, like DoD. This papers will dig into Productivity and Realization Factors and how they get applied to bimonthly (payroll data) for true FTE calculations that could be used at each of the NASA Centers and other business systems that are on the forefront in being implemented. This paper offers some comparative costs solutions, from simple - full time equivalent (FTE) cost estimating relationships CERs, to complex - CERs for monthly time-phasing activities for small research projects that start and get completed within a government fiscal year. This paper will present the results of a parametric study investigating the cost-effectiveness of different alternatives performance based cost estimating relationships (CERs) and how they get applied into the Center s forward pricing rate proposals (FPRP). True CERs based on the relationship of a younger aged workforce will have some effects on labor rates used in both commercial cost models and internal home-grown cost models which may impact the productivity factors for future NASA missions.

Sterk, Steve↗
NASA NTRS2008

Civil Service Workforce Market Supply and the Effect on Cost Estimating Relationship (CERS) that May Effect the Productivity Factors for Future NASA Missions

The upcoming retirement of the Baby Boomers will leave a workforce age gap between the younger generation (the future NASA decision makers) and the gray beards. This paper will reflect on the average age of the workforce across NASA Centers, the Aerospace Industry and other Government Agencies, like DoD. This paper will dig into Productivity and Realization Factors and how they get applied to bi-monthly (payroll) data for true full-time equivalent (FTE) calculations that could be used at each of the NASA Centers and other business systems that are on the forefront in being implemented. This paper offers some comparative costs analysis/solutions, from simple FTE cost-estimating relationships (CERs) versus CERs for monthly time-phasing activities for small research projects that start and get completed within a government fiscal year. This paper will present the results of a parametric study investigating the cost-effectiveness of alternative performance-based CERs and how they get applied into the Center's forward pricing rate proposals (FPRP). True CERs based on the relationship of a younger aged workforce will have some effects on labor rates used in both commercial cost models and other internal home-grown cost models which may impact the productivity factors for future NASA missions.

Sterk, Steve↗
NASA NTRS2009

Acquisition and Pointing for Mars Optical Access Link

Optical characteristics can potentially benefit "access" links at Mars when transmitting data from surface to orbiting assets because of the higher gain and modulation bandwidth, compared to radio frequency (RF). Furthermore, higher bits/kg/W can be realized with low mass and power optical systems, enabling the streaming of high definition imagery. In this paper we present a conceptual design for a low complexity, autonomous optical communications link for returning data at 50-200 Mb/s from the Martian surface and for lower forward data rates of 50 kb/s to the surface. The pointing control is simplified by widening the transmitted laser beams (0.5 - 2.0 mrad) for the short distance (400-1200 Km) links. Link acquisition is based on the orbiter transceiver (OT) "blind"-pointing a laser beam to illuminate the lander transceiver (LT) on the surface. The LT acquires the link with a spectrally-filtered wide-field-of-view camera and subsequently tracks the orbiter transceiver with a two-axis, stepper-motor-actuator, to send back a laser modulated with high-rate data to the orbiting asset. The system design also has a provision for the OT transitioning from blind-pointing to closed loop tracking once it acquires the signal from the lander transceiver. Results from successful ground-based demonstrations performed at JPL, in which the pointing rate required to track an orbiter was emulated by mounting both transceivers on rotating stages, and in which we transmitted live video and pseudo-random data streams, are presented.

Optical Communication↗
DOE OSTI2023

Concepts Relevant for the Kinetic Analysis of Reversible Reaction Systems

The net rate of a reversible chemical reaction is the difference between unidirectional rates of traversal along forward and reverse reaction paths. In a multistep reaction sequence, the forward and reverse trajectories, in general, are not the microscopic reverse of one another; rather, each unidirectional route is comprised of distinct rate-controlling steps, intermediates, and transition states. Consequently, traditional descriptors of rate (e.g., reaction orders) do not reflect intrinsic kinetic information but instead conflate unidirectional contributions determined by (i) the microscopic occurrence of forward/reverse reactions (i.e., unidirectional kinetics) and (ii) the reversibility of reaction (i.e., nonequilibrium thermodynamics). This review aims to provide a comprehensive resource of analytical and conceptual tools which deconvolute the contributions of reaction kinetics and thermodynamics to disambiguate unidirectional reaction trajectories and precisely identify rate- and reversibility-controlling molecular species and steps in reversible reaction systems. The extrication of mechanistic and kinetic information from bidirectional reactions is accomplished through equation-based formalisms (e.g., De Donder relations) grounded in principles of thermodynamics and interpreted in the context of theories of chemical kinetics developed in the past 25 years. Here, the aggregate of mathematical formalisms detailed herein is general to thermochemical and electrochemical reactions and encapsulates a diverse body of scientific literature encompassing chemical physics, thermodynamics, chemical kinetics, catalysis, and kinetic modeling.

42 ENGINEERING↗
DOE OSTI2025

Thermodynamic consistency and fluctuations in mesoscopic stochastic simulations of reactive gas mixtures

It is essential that mesoscopic simulations of reactive systems reproduce the correct statistical distributions at thermodynamic equilibrium. By considering a compressible fluctuating hydrodynamics (FHD) simulation method of ideal gas mixtures undergoing reversible reactions described by the chemical Langevin equations, we show that thermodynamic consistency in reaction rates and the use of instantaneous temperatures for the evaluation of reaction rates is required for fluctuations for the overall system to be correct. We then formulate the required properties of a thermodynamically consistent reaction (TCR) model. As noted in the literature, while reactions are often discussed in terms of forward and reverse rates, these rates should not be modeled independently because they must be compatible with thermodynamic equilibrium for the system. Using a simple TCR model where each chemical species has constant heat capacity, we derive the explicit condition that the forward and reverse reaction rate constants must satisfy in order for the system to be thermodynamically consistent. We perform equilibrium and non-equilibrium simulations of ideal gas mixtures undergoing a reversible dimerization reaction to measure the fluctuational behavior of the system numerically. We confirm that FHD simulations with the TCR model give the correct static structure factor of equilibrium fluctuations. For the statistically steady simulation of a gas mixture between two isothermal walls with different temperatures, we show using the TCR model that the temperature variance agrees with the corresponding thermodynamic-equilibrium temperature variance in the interior of the system, whereas noticeable deviations are present in regions near walls, where chemistry is far from equilibrium.

Polimeno, Matteo [University of California, Merced↗
DOE OSTI2022

LeTID-Affected Cells from a Utility-Scale Photovoltaic System Characterized by Deep Level Transient Spectroscopy

Photovoltaic modules from a utility-scale field experienced power loss by light- and elevated temperature-induced degradation (LeTID). Samples of one of the affected monocrystalline silicon cells were cored and extracted from the module packaging and encapsulation. One of the cell fragments was processed using a regeneration cycle of applying short-circuit-rated current in forward bias at 85 degrees C for 2 weeks, while the other fragment was kept in its outdoor-degraded LeTID state. Both samples were scribed to form 2-mm diameter isolated areas using a femtosecond-pulse-width laser micromachining system. Both isolated areas contained front grid line segments which were wire bonded to larger contact pads, and the samples were probed in a cryostat linked to a deep-level transient spectroscopy (DLTS) system. Using DLTS, a majority-carrier, hole-trap defect was detected on each sample with an activation energy of 0.42 eV. The LeTID-degraded sample, however, had a larger signal corresponding to a trap density of 1.1x10^13 cm-3, which was about five times larger than the 2.1x10^12 cm-3 trap density of the regenerated sample.

charge carrier lifetime↗
DOE OSTI2020

Acceleration of Glass Alteration Rates Induced by Zeolite Seeds at Controlled pH

As the glass-water reaction proceeds, certain glass compositions undergo a delayed acceleration in the alteration rate – a phenomenon that is commonly referred to as Stage III behavior – which generally coincides with zeolite formation. However, studying Stage III in the laboratory is difficult because the time scale required to observe Stage III behavior can vary from months to several years, and the solution conditions that initiate this acceleration remain poorly understood. Consequently, the development of a corrosion test method capable of quantifying Stage III rates in a timely manner would be of great benefit to both the scientific community and policy makers concerned with nuclear waste disposal. In this work, we induced and measured the acceleration in the corrosion rate of the AFCI glass by seeding static corrosion tests with zeolite Na-P2 at fixed pH90°C values ranging from 9.5 to 11.5. The induced Stage III rates increased linearly with increasing pH and were measured to be between the forward and residual rates of AFCI. Tests designed to compare induced Stage III rates obtained for different seeding times showed that the induced Stage III rates were faster in the absence of an alteration layer. In summary, the use of the seeded test method allows for a conservative quantification of Stage III rates in a relatively short, one-month time period.

Neeway, James J.↗
NASA NTRS1995

Calculation of kinetic rate constants from thermodynamic data

A new scheme for relating the absolute value for the kinetic rate constant k to the thermodynamic constant Kp is developed for gases. In this report the forward and reverse rate constants are individually related to the thermodynamic data. The kinetic rate constants computed from thermodynamics compare well with the current kinetic rate constants. This method is self consistent and does not have extensive rules. It is first demonstrated and calibrated by computing the HBr reaction from H2 and Br2. This method then is used on other reactions.

Marek, C. John↗
NASA NTRS1972

High-temperature, long-life thyratron

Thallium and xenon filled thyratron was developed that operates at tube envelope temperatures up to 750 C. This tube performs at peak voltage ratings of 2000 V forward and reverse and at an average current rating of 15 A for up to 11,000 hours.

Baum, E. A.↗
DOE OSTI2023

Rate Equations for Reversible Disproportionation Reactions and Fitting to Time-Course Data

Integrated rate equations are straightforward to fit to experimental data to verify a proposed mechanism and to extract kinetic parameters. Such equations are derived for reversible disproportionation/comproportionation reactions with any set of initial concentrations. Extraction of forward and reverse rate constants from experimental data by fitting the rate law to the data is demonstrated for the disproportionation of 2,2,6,6-tetramethyl-1-piperidinyl-N-oxyl (TEMPO) under acidic conditions where the approach to equilibrium is observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

T1 VSAT Fade Compensation Statistical Results

New satellite communication systems are steadily seeking to use higher frequency bands to accommodate the requirements for additional capacity. At these higher frequencies, propagation impairments that did not significantly affect the signal at lower frequencies begin to have considerable impact. In Ka-band. the next logical commercial frequency band to be used for satellite communication, attenuation of the signal due to rain is a primary concern. An experimental satellite built by NASA, the Advanced Communication Technology Satellite (ACTS). launched in September 1993, is the first U.S. communication satellite operating in the Ka-band. In addition to higher carrier frequencies, a number of other new technologies, including on-board baseband processing. multiple beam antennas, and rain fade detection and compensation techniques, were designed into the ACTS. Verification experiments have been conducted since the launch to characterize the new technologies. The focus of this paper is to characterize the method used by the ACTS TI Very Small Aperture Terminal (TI VSAT) ground stations in detecting the presence of fade in the communication signal and to adaptively compensate for it by the addition of burst rate reduction and forward error correction. Measured data obtained from the ACTS program was used to validate the compensation technique. A software process was developed and demonstrated to statistically characterize the increased availability achieved by the compensation techniques in terms of the bit error rate time enhancement factor. Several improvements to the ACTS technique are discussed and possible implementations for future Ka band system are offered.

Johnson, Sandra K.↗