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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Spring dehydration in the Antarctic stratospheric vortex observed by HALOE

The distribution of dehydrated air in the middle and lower stratosphere during the 1992 Southern Hemisphere spring is investigated using Halogen Occultation Experiment (HALOE) observations and trajectory techniques. Comparisons between previously published Version 9 and the improved Version 16 retrievals on the 700-K isentropic surface show very slight (0.05 ppmv) increases in Version 16 CH4 relative to Version 9 within the polar vortex. Version 16 H2O mixing ratios show a reduction of 0.5 ppmv relative to Version 9 within the polar night jet and a reduction of nearly 1.0 ppmv in middle latitudes when compared to Version 9. The version 16 HALOE retrievals show low mixing ratios of total hydrogen (2CH4 + H2O) within the polar vortex on both 700 and 425 K isentropic surfaces relative to typical middle-stratospheric 2CH4 + H2O mixing ratios. The low 2CH4 + H2O mixing ratios are associated with dehydration. Slight reductions in total hydrogen, relative to typical middle-stratospheric values, are found at these levels throughout the Southern Hemisphere during this period. Trajectory calculations show that middle-latitude air masses are composed of a mixture of air from within the polar night jet and air from middle latitudes. A strong kinematic barrier to large-scale exchange is found on the poleward flank of the polar night jet at 700 K. A much weaker kinematic barrier is found at 425 K. The impact of the finite tangent pathlength of the HALOE measurements is investigated using an idealized tracer distribution. This experiment suggests that HALOE should be able to resolve the kinematic barrier, if it exists.

Pierce, R. Bradley↗
NASA NTRS1987

Heavy ion beams in extended materials - Computational methods and experiment

The transport of heavy ion beams in extended materials is a problem of interest in accelerator and space shielding, radiation therapy, and astrophysical and radiobiological studies. The beam particles change their energy and direction of motion through atomic/molecular collisions and undergo occasional radical transformation in nuclear collision. In health physics applications, a heavy ion beam of initially well defined radiation quality is transformed into a complex mixture of diverse quality components after passing through a modest amount of material. This transformation of radiation quality must be understood to adequately explain the biological response of tissue to heavy ion radiation. A theoretical/experimental program to define an ion beam and its products in extended matter is described.

Wilson, J. W.↗
DOE OSTI2013

The statistical analysis techniques to support the NGNP fuel performance experiments

This paper describes the development and application of statistical analysis techniques to support the Advanced Gas Reactor (AGR) experimental program on Next Generation Nuclear Plant (NGNP) fuel performance. The experiments conducted in the Idaho National Laboratory’s Advanced Test Reactor employ fuel compacts placed in a graphite cylinder shrouded by a steel capsule. The tests are instrumented with thermocouples embedded in graphite blocks and the target quantity (fuel temperature) is regulated by the He–Ne gas mixture that fills the gap volume. Three techniques for statistical analysis, namely control charting, correlation analysis, and regression analysis, are implemented in the NGNP Data Management and Analysis System for automated processing and qualification of the AGR measured data. The neutronic and thermal code simulation results are used for comparative scrutiny. The ultimate objective of this work includes (a) a multi-faceted system for data monitoring and data accuracy testing, (b) identification of possible modes of diagnostics deterioration and changes in experimental conditions, (c) qualification of data for use in code validation, and (d) identification and use of data trends to support effective control of test conditions with respect to the test target. Analysis results and examples given in the paper show the three statistical analysis techniques providing a complementary capability to warn of thermocouple failures. It also suggests that the regression analysis models relating calculated fuel temperatures and thermocouple readings can enable online regulation of experimental parameters (i.e. gas mixture content), to effectively maintain the fuel temperature within a given range.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Isomerization kinetics of azobenzene crosslinked to a liquid crystal polymer network

Azobenzene is an important chromophore having numerous applications that are a direct implication of its ability to change shape upon irradiation with a suitable wavelength. Here, in this study, photoisomerization kinetics of a diacrylate azobenzene molecule (A3MA) cross-linked to a liquid crystal polymer network (LCN) is investigated. Isomerization experiments were conducted on planar LCN thin films with varying cross-linking densities for a fixed azobenzene concentration. The experiments were conducted at approximately 26 °C, which is significantly below each film’s glass transition temperature. The forward trans-cis and reverse cis-trans isomerization slows down in crosslinked azobenzene liquid crystal polymer networks (ALCNs) as compared to a solution and an uncrosslinked polymer mixture. The observed slowdown is due to the reduction in the free volume and increased steric hindrances with an increase in crosslinking. A single-term first-order kinetics rate equation is known to describe the isomerization kinetics in solutions or uncrosslinked mixtures while the same form fails to represent the reaction kinetics in moderate to highly cross-linked ALCNs. Our results for the first time indicate that a two-term first-order reaction rate is an accurate way to describe the forward trans-cis and reverse thermal cis-trans isomerization in crosslinked azobenzene liquid crystal polymer networks. In addition, the effect of film thickness and incident intensities on the reaction kinetics is investigated. Finally, the two-term isomerization kinetics is incorporated into a finite element photo-chemo-mechanical model to reveal the consequent slowdown in the actuation response of ALCN films. The current findings will be of particular interest to theoreticians and experimentalists alike, for it will help predict and understand accurately the responses of azobenzene-based coatings, and actuators and may have potential applications in underwater soft robotics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Selection and Assessment of Phenomenological Models of Tumor Growth

We address general approaches to the rational selection and validation of mathematical and computational models of tumor growth using methods of Bayesian inference. The model classes are derived from a general diffuse-interface, continuum mixture theory and focus on mass conservation of mixtures with up to four species. Synthetic data are generated using higher-order base models. We discuss general approaches to model calibration, validation, plausibility, and selection based on Bayesian-based methods, information theory, and maximum information entropy. We also address computational issues and provide numerical experiments based on Markov chain Monte Carlo algorithms and high performance computing implementations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Mass Spectrometer Transient Analysis

This software implements a complete preprocessing pipeline for transient mass spectrometry (MS) data collected during TAP (Temporal Analysis of Products) experiments. It is designed to extract chemically meaningful fluxes from overlapping ion signals by applying a calibrated defragmentation matrix and solving the resulting linear system using non-negative least squares (NNLS) regression. The core script, preprocess_mass_spec.py, performs the following operations: Gain correction: Applies amplifier gain scalars derived from inert-packed calibration pulses to normalize signal intensities across AMUs and acquisition settings. Background subtraction: Removes experiment baselines using user-defined time windows, ensuring compatibility with slow-diffusing species and preventing negative values that would interfere with NNLS. Options to subtract before and after defragmentation. Defragmentation: Constructs a fragmentation matrix A from zeroth moments of calibration pulses (equal molar gas:inert mixtures) and solves Ax=b at each time point, where b is the raw MS signal and x is the estimated species flux. The matrix is normalized to inert signals and accounts for instrument-specific fragmentation behavior. Pulse-mode handling: Supports both averaged and individual pulse modes, enabling statistical treatment of fluxes and calculation of standard deviations. Integration and output: Computes zeroth moments (integrated fluxes) and exports time-resolved and integrated data in CSV format, suitable for downstream kinetic modeling. The software is validated using both virtual TAP simulations (VTAP) and experimental data from propane dehydrogenation (PDH) on CrOx/Al2O3 catalysts. It preserves temporal resolution by applying NNLS point-by-point across the pulse duration (typically 6,000+ time slices per pulse), leveraging the linear superposition principle to reconstruct full flux profiles. The defragmented outputs are compatible with kinetic extraction methods such as the G and Y procedures, which are used to derive rate–concentration relationships from TAP data. The details of these validations are discussed in detail in the supporting manuscript and supporting information. Example data and output files are also included. The methodology is robust to experimental noise and drift, with calibration protocols that account for pulse size effects, MS aging, and inert gas normalization. The software is modular, reproducible, and tailored for high-throughput TAP-MS workflows in catalysis research.

Kristy, Stephen [Idaho National Laboratory (INL), ↗
DOE OSTI2019

Characterization of radiative heat transfer in a spark-ignition engine through high-speed experiments and simulations

A combined experimental and Large-Eddy Simulation (LES) study of molecular radiation is presented for combustion in a homogeneous pre-mixed spark-ignition engine. Molecular radiation can account for ~10% of the engine heat loss and could have a noticeable impact on the local conditions within the combustion chamber. The Transparent Combustion Chamber (TCC) engine, a single-cylinder two-valve research engine with a transparent liner and piston for optical access, was used for this study. High-speed infrared emission spectroscopy and radiative post-processing of LES calculations have been performed to gain insight into the timescales and magnitude of radiative emissions of molecular gases during the combustion process. Both the measurements and simulations show significant Cycle-to-Cycle Variations (CCV) of radiative emission. There is agreement in the instantaneous radiative spectrum of experiment and simulation, but the crank-angle development of the radiative spectrum shows disagreement. The strengths and limitations of the optical experiments and radiative simulations are seen in the results and suggest pathways for future efforts in characterizing the influence of molecular radiation. In particular, focusing on the relative changes of the spectral features will be important as they contain information about the thermochemical properties of the gas mixture.

02 PETROLEUM↗
NASA NTRS1978

Further results related to the turbulent boundary layer with slot injection of helium

Data from an experiment involving the slot injection of helium into a turbulent boundary layer in air are analyzed in terms of unconditioned and conditioned Favre-averages. The conditioning is based on two levels of helium concentration so that the contributions to the unconditioned statistics from air, helium, and mixture of these two gases can be determined. The distributions of intermittency associated with the two helium levels establish the domains of influence of air, helium, and mixture.

Larue, J. C.↗
NASA NTRS1986

UV laser deposition of metal films by photogenerated free radicals

A novel photochemical method for liquid-phase deposition of metal films is described. In the liquid phase deposition scheme, a metal containing compound and a metal-metal bonded carbonyl complex are dissolved together in a polar solvent and the mixture is irradiated using a UV laser. The optical arrangement consists of a HeCd laser which provides 7 mW of power at a wavelength of 325 nm in the TEM(OO) mode. The beam is attenuated and may be expanded to a diameter of 5-20 mm. Experiments with photochemical deposition of silver films onto glass and quartz substrates are described in detail. Mass spectrometric analysis of deposited silver films indicated a deposition rate of about 1 A/s at incident power levels of 0.01 W/sq cm. UV laser-induced copper and palladium films have also been obtained. A black and white photograph showing the silver Van Der Pauw pattern of a solution-deposited film is provided.

Montgomery, R. K.↗
NASA NTRS1987

A spectral multi-domain technique for analysis of chemically reacting flows

A technique is presented which models the chemical kinetics and flow kinematics of a nonionized air mixture passing through a fully resolved shock wave, thus alleviating the need for artificial viscosity. The quasi-one-dimensional Navier-Stokes equations and the species conversation equation are the governing equations. The validity of the multidomain Navier-Stokes algorithm is demonstrated via comparison with experiment.

Macaraeg, Michele G.↗
NASA NTRS1992

Numerical simulation of shock-induced combustion/detonation

A numerical study is conducted to simulate the shock-induced combustion in premixed H2-air mixtures. Two types of bodies, blunt (spherical projectile) and sharp (wedge), are considered in the study. A nine-species, 18-step finite-rate H2-air chemical reaction mechanism coupled with the Navier-Stokes equations is solved. The flow field over the blunt body is found to be unsteady, when the projectile velocity is same as the Chapman-Jouget velocity of the mixture. The unsteadiness is caused by the periodic instabilities originating in the stagnation zone. Numerical results show good qualitative agreement with the ballistic range shadowgraph. In addition, the frequency of oscillations, determined by using the Fourier power spectrum, is found to be in good agreement with the experiment. The flow field over the wedge is found to be stable for the conditions considered in this study. The oblique detonation wave structure is investigated and the important flow features are discussed.

Singh, D. J.↗
NASA NTRS2005

Vibrating Optical Fibers to Make Laser Speckle Disappear

In optical systems in which laser illumination is delivered via multimode optical fibers, laser speckle can be rendered incoherent by a simple but highly effective technique. The need to eliminate speckle arises because speckle can make it difficult to observe edges and other sharp features, thereby making it difficult to perform precision alignment of optical components. The basic ideas of the technique is to vibrate the optical fiber(s) to cause shifting of electromagnetic modes within the fiber(s) and consequent shifting of the speckle pattern in the light emerging from the fiber(s). If the frequency of vibration is high enough, a human eye cannot follow the shifting speckle pattern, so that instead of speckle, a human observer sees a smoothed pattern of light corresponding to a mixture of many electromagnetic modes. If necessary, the optical fiber(s) could be vibrated manually. However, in a typical laboratory situation, it would be more practical to attach a vibrating mechanism to the fiber(s) for routine use as part of the fiber-optic illuminator. In experiments, a commercially available small, gentle, quiet, variable- speed vibratory device was used in this way, with the result that the appearance of speckle was eliminated, as expected. Figures 1 and 2 illustrate the difference.

McGill, Matthew↗
DOE OSTI2020

Evaluation of a New Chemical Mechanism for 2-Amino-2-methyl-1-propanol in a Reactive Environment from CSIRO Smog Chamber Experiments

Amines are considered as an emerging class of atmospheric pollutants that are of great importance to atmospheric chemistry and new particle formation. As a typical amine, 2-amino-2-methyl-1-propanol (AMP) is one of the proposed solvents for capturing CO 2 from flue gas streams in amine-based post-combustion CO 2 capture plants, and it is expected to result in AMP emission and secondary products formation in the atmosphere. However, the current knowledge of its atmospheric chemistry and kinetics is poorly understood, particularly in a reactive environment. As such, in this work we used the CSIRO smog chamber to study the photo-oxidation of AMP in the presence of VOCs–NOx surrogate mixtures over a range of initial amine concentrations. O 3 formation was significantly inhibited when AMP was added to the surrogate VOCs–NOx mixtures, implying that AMP could alter known atmospheric chemical reaction pathways and the prevailing reactivity. Simultaneously, a large amount of AMP-derived secondary aerosol was formed, with a considerably high aerosol mass yield (i.e. ratio of aerosol formed to reacted AMP) of 1.06±0.20. Based on updated knowledge of its kinetics, oxidation pathways and product yields, we have developed a new mechanism (designated as CSIAMP-19) and integrated into the Carbon Bond 6 (CB6) chemical mechanism, and evaluated it against available smog chamber data. Compared with the existing AMP mechanism (designated as CarterAMP-08), the modified CB6 with CSIAMP-19 mechanism improves prediction against AMP–VOCs–NOx experiments across a range of initial AMP concentrations, within ±10% model error for gross ozone production. Our results contribute to scientific understanding of AMP photochemistry and to the development of the chemical mechanism of other amines. The updated AMP chemical reactions scheme can be further embedded into the chemical transport model for regional modelling scenarios where AMP-related emissions are of concern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Combustion of petroleum-based transportation fuels and their blends with biofuels: a new approach for developing surrogates and understanding the effects of blending

Accurate and versatile reaction mechanisms are necessary to simulate combustion of transportation fuels blended with biofuels for improving fuel efficiency, reducing fuel consumption and mitigating the formation and emissions of combustion products harmful to the atmosphere. This project involved a combined effort of simulation and experimentation of liquid fuel burning using a combustion configuration amenable to numerical modeling with a level of detail not previously achieved for blends of biofuels with gasoline certification and surrogate fuels. The configuration of an isolated droplet burning under conditions where gas transport arises solely from fuel evaporation was selected as the platform for experiments and numerical modeling. The spherical symmetry and one-dimensional gas transport that results enabled simulating the droplet burning process with an precedented level of detail. Processes associated with unsteady gas and liquid transport, formation of particulate and gaseous products, radiation, multicomponent phase equilibrium at the droplet surface and moving boundary effects from droplet evaporation, were incorporated in a single numerical framework. The numerical model was based on the open source code OPENSmoke++ (OS) adapted to incorporate the effects noted above. In addition to simulation, an experimental design was developed for the isolated droplet configuration to acquire the data needed for validating the numerical model. Several broad accomplishments of the project were the following: demonstrating generally excellent agreement between measured and simulated combustion parameters for the fuel blends examined that included mixtures of heptane and isobutanol as a model system, and surrogates comprised of up to seven miscible components mixed with ethanol or isobutanol as representative biofuel additives; using a new approach to validate reaction mechanisms of biofuel blends which incorporated fuel evaporation into the process along with developing an experimental design for acquiring data to compare with simulations; and showing that a wealth of information could be obtained on the combustion physics of biofuels from experiments requiring volumes on the order of only nanoliters at a time thus opening the way to evaluating biofuels synthesized by new processes early in development.

02 PETROLEUM↗
DOE OSTI2018

Phase Behavior of Mixtures of Block Copolymers and a Lithium Salt

We present experimental results on the phase behavior of block copolymer/salt mixtures over a wide range of copolymer compositions, molecular weights, and salt concentrations. The experimental system comprises polystyrene-block-poly(ethylene oxide) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt. It is well established that LiTFSI interacts favorably with poly(ethylene oxide) relative to polystyrene. The relationship between chain length and copolymer composition at fixed temperature is U-shaped, as seen in experiments on conventional block copolymers and as anticipated from the standard self-consistent field theory (SCFT) of block copolymer melts. The phase behavior can be explained in terms of an effective Flory-Huggins interaction parameter between the polystyrene monomers and poly(ethylene oxide) monomers complexed with the salt, χ eff , which increases linearly with salt concentration. The phase behavior of salt-containing block copolymers, plotted on a segregation strength versus copolymer composition plot, is similar to that of conventional (uncharged) block copolymer melts, when the parameter χ eff replaces χ in segregation strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Mesoscale evaluation of AMPS using AWARE radar observations of a wind and precipitation event over the Ross Island region of Antarctica

Surface, upper-air, and radar observations are used to assess the performance of the Antarctic Mesoscale Prediction System (AMPS) in simulating the mesoscale aspects of a wind and precipitation event over the Ross Island region of Antarctica that spanned January 16–20, 2016. The observations, collected during the Atmospheric Radiation Measurement (ARM) West Antarctic Radiation Experiment (AWARE), provide a unique dataset for evaluating AMPS, especially the radar observations that facilitate a three-dimensional depiction of winds and precipitation. Comparisons of AMPS forecast data with surface meteorology, balloon-sounding, and profiling radar observations at and above sites near McMurdo Station reveal a mixture of similarities and differences. A generally southerly flow is evident at low levels in both the AMPS simulations and observed Doppler radial velocities. AMPS winds are comparable to those observed at the surface and aloft in terms of magnitude, direction, and timing but the strongest simulated southerly flow is displaced eastward relative to the observations. AMPS-simulated reflectivity over the broader Ross Island region is more limited in areal extent and smaller in magnitude than observed by a scanning Doppler radar. Three episodes of surface precipitation are observed near McMurdo Station over the five-day event with peak rates of ~3 mm h -1 and a total accumulation of ~22 mm. However, AMPS produces no surface precipitation at that location over the five-day event due to a low-level dry bias in the forecasts. Herein, the results show the first observationally based three-dimensional understanding of meteorology in the Ross Island region.

AMPS↗
DOE OSTI2016

Fuzzy jets

Collimated streams of particles produced in high energy physics experiments are organized using clustering algorithms to form jets . To construct jets, the experimental collaborations based at the Large Hadron Collider (LHC) primarily use agglomerative hierarchical clustering schemes known as sequential recombination. We propose a new class of algorithms for clustering jets that use infrared and collinear safe mixture models. These new algorithms, known as fuzzy jets , are clustered using maximum likelihood techniques and can dynamically determine various properties of jets like their size. We show that the fuzzy jet size adds additional information to conventional jet tagging variables in boosted topologies. Furthermore, we study the impact of pileup and show that with some slight modifications to the algorithm, fuzzy jets can be stable up to high pileup interaction multiplicities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Experimental and Theoretical Research into Dynamic Loading of Tungsten Porous Alloy with Reinforcing Agent

The paper studies the behavior of ceramic porous tungsten alloy with reinforcing agents under the shock-wave loading conditions. Penetrating capacity of tungsten kinetic energy projectiles is calculated and experimentally investigated during their high-speed impacts on steel plates. It is shown that the increased penetration depth of tungsten projectiles exceeds that of the prototype with relevant weight and size, made of tungsten-nickel-iron cast alloy. A mathematical model is developed together with the design technique of the behavior of tungstennickel-iron-cobalt metal foams alloyed with boron carbide, tungsten titanium carbide and tungsten carbide during the high-speed impact interaction. The composite ceramic material is described here as a porous medium. The matrix of this medium is a homogeneous two-phase mixture of the tungsten-nickel-iron-cobalt system and reinforcing agents added in the required proportions.

36 MATERIALS SCIENCE↗