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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Rapid Synthesis of Naphthol Derivatives through a Photocontrolled Exothermic Process

A photocontrolled isomerization reaction of oxabenzonorbornadiene (OBNBD) derivatives with a photo acid generator (PAG) has been developed. Under irradiation, the PAG releases an acid that catalyzes the heterolytic cleavage of the benzyl ether, triggering an aromatization process accompanied by substantial heat release that accelerates the transformation. Large exotherms can further push low reactivity substrates to achieve full conversion within minutes. In conclusion, this approach not only illuminates practical and environmentally benign advantages in organic synthesis but also opens new avenues for developing photoresponsive molecular architectures and advanced functional materials.

Chemical reactions↗
DOE OSTI2021

Compartmentalization and Photo-Regulating Pathways for Incompatible Tandem Catalysis

This contribution describes an advanced compartmentalized micellar nanoreactor that possesses a reversible photoresponsive feature and its application towards photo-regulating reaction pathways for incompatible tandem catalysis under aqueous conditions. The smart nanoreactor is based on multi-functional amphiphilic poly(2-oxazoline)s and covalently crosslinked with spiropyran upon micelle formation in water. It responds to light irradiation in a wavelength-selective manner switching its morphology as confirmed by dynamic light scattering and cryo-transition electron microscopy. The compartmental structure renders distinct nanoconfinements for two incompatible enantioselective transformations: a rhodium-diene complex-catalyzed asymmetric 1,4-addition occurs in the hydrophilic corona while a Rh-TsDPEN-catalyzed asymmetric transfer hydrogenation proceeds in the hydrophobic core. Control experiments and kinetic studies showed that the gated behavior induced by the photo-triggered reversible spiropyran to merocyanine transition in the cross-linking layer is key to discriminate among substrates/reagents during the catalysis. Here, the smart nanoreactor realized photo-regulation to direct the reaction pathway to give a multi-chiral product with high conversions and perfect enantioselectivities in aqueous media. Our SCM catalytic system, on a basic level, mimics the concepts of compartmentalization and responsiveness Nature uses to coordinate thousands of incompatible chemical transformations into streamlined metabolic processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

How numerical simulations helped to achieve breakeven on the NIF

The inertial confinement fusion program relies upon detailed simulations with inertial confinement fusion (ICF) codes to design targets and to interpret the experimental results. These simulations treat as much physics from essential principles as is practical, including laser deposition, cross beam energy transfer, x-ray production and transport, nonlocal thermal equilibrium kinetics, thermal transport, hydrodynamic instabilities, thermonuclear burn, and transport of reaction products. Improvements in radiation hydrodynamic code capabilities and vast increases in computing power have enabled more realistic, accurate 3D simulations that treat all known asymmetry sources. We describe how numerical simulations helped to guide the program, assess the impediments to breakeven, and optimize every aspect of target design. A preshot simulation of the first National Ignition Facility experiment that surpassed breakeven predicted an increased yield that matches the experimental result, within the preshot predicted uncertainty, with a target gain of 1.5. We will cover the key developments in Lawrence Livermore National Laboratory ICF codes that enabled these simulations and give specific examples of how they helped to guide the program.

Marinak, M. M. (ORCID:0009000331127696)↗
DOE OSTI2021

Role of Chiral Two-Body Currents in 6 Li Magnetic Properties in Light of a New Precision Measurement with the Relative Self-Absorption Technique

A direct measurement of the decay width of the excited $0^+_1$ state of 6 Li using the relative self-absorption technique is reported. Our value of $Γ_{γ,0^{+}_{1}} → 1^{+}_{1}$ = 8.17 (14) stat. (11) syst. eV provides sufficiently low experimental uncertainties to test modern theories of nuclear forces. The corresponding transition rate is compared to the results of ab initio calculations based on chiral effective field theory that take into account contributions to the magnetic dipole operator beyond leading order. This allows for a precision test of the impact of two-body currents that enter at next-to-leading order.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A New Data Analysis Technique for Determining Mix Parameters from HED Experiments

In designing, analyzing, and understanding high-energy-density (HED) physics experiments, including inertial confinement fusion (ICF) experiments, we must contend with the extension of hydrodynamics to new regimes where additional physics, such as radiation transport and nuclear reactions, become important and coupled to the dynamics. Our most sophisticated models and understanding are based in classical, low-energy physics, since that is what we have the easiest access to creating and diagnosing. To assess our extrapolation of that understanding to the HED regime will require comparable precision in experiments and measurements. This is particularly the important in the case of hydrodynamic turbulence — most experiments are designed with one or two dimensions of symmetry, but at small scales hydrodynamics is generically observed to crumple into a fine structure of apparently random, three-dimensional eddies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Depth-dose relations for heavy ion beams

Radiation transport of heavy ions in matter is of interest to radiological protection in space and high-altitude aircraft. In addition, heavy ion beams are expected to be of advantage in radiotherapy since their characteristic Bragg curve allows a relative reduction of the dose in reaching a tumor site and the near elimination of exposure beyond the tumor region as the beam exits the body. Furthermore, the radioresistance of tumorous cells due to their hypoxic state may be reduced or eliminated by the high specific ionization of heavy ion beams. The depth-dose distribution of heavy ion beams consists of energy deposited by the attenuated primary beam with its characteristic Bragg curve and a relatively unstructured background due to secondary radiations produced in nuclear reactions. As the ion mass increases, the secondary contribution becomes more structured and may add significantly to the Bragg peak of the primary ions. The result for heavy ions (z greater than 20) is a greatly broadened Bragg peak region, especially in comparison to straggling effects, which may prove to be of importance in radiotherapy and biomedical research.

Wilson, J. W.↗
NASA NTRS1991

Real-Gas Properties of Air And Air-Plus-Hydrogen Mixtures

Report presents some calculated chemical, physical, and spectroscopic properties of nitrogen, oxygen, hydrogen, and compounds thereof. Data needed particularly in numerical simulations of heating, radiative properties, and chemical reactions of molecular species in air flowing through jet engines and around spacecraft.

Cooper, David M.↗
NASA NTRS1993

Interactions between spacecraft and their environments

Spacecraft inevitably interact with their environments. Besides the interactions one immediately thinks of in space (zero-g, solar heating, atmospheric drag, expansion into vacuum conditions, etc.) other interactions are also important. Those of interest to spacecraft designers so far may be grouped under several headings; plasma interactions and spacecraft charging, impact of debris and micrometeoroids, chemical reactions with neutral species, radiation degradation, etc. Researchers have made great progress in defining and evaluating the interactions of spacecraft with their expected ambient environments near Earth and in interplanetary space. Some of these interactions are discussed with an eye toward expanding our knowledge into new environments, such as may be found at the moon and Mars, that will interact in new and different ways with exploring spacecraft and spacefarers.

Ferguson, Dale C.↗
NASA NTRS2002

Cross-Section Parameterizations for Pion and Nucleon Production From Negative Pion-Proton Collisions

Ranft has provided parameterizations of Lorentz invariant differential cross sections for pion and nucleon production in pion-proton collisions that are compared to some recent data. The Ranft parameterizations are then numerically integrated to form spectral and total cross sections. These numerical integrations are further parameterized to provide formula for spectral and total cross sections suitable for use in radiation transport codes. The reactions analyzed are for charged pions in the initial state and both charged and neutral pions in the final state.

Norbury, John W.↗
NASA NTRS2014

Performance of the Linear Ion Trap Mass Spectrometer for the Mars Organic Molecule Analyzer (MOMA) Investigation on the 2018 Exomars Rover

The 2018 ExoMars rover mission includes the Mars Organic Molecule Analyzer (MOMA) investigation. MOMA will examine the chemical composition of samples acquired from depths of up to two meters below the martian surface, where organics may be protected from degradation derived from cosmic radiation and/or oxidative chemical reactions. When combined with the complement of instruments in the rover's Pasteur Payload, MOMA has the potential to reveal the presence of a wide range of organics preserved in a variety of mineralogical environments, and to begin to understand the structural character and potential origin of those compounds. The MOMA investigation is led by the Max Planck Institute for Solar System Research (MPS) with the mass spectrometer subsystem provided by NASA GSFC. MOMA's linear ion trap mass spectrometer (ITMS) is designed to analyze molecular composition of: (i) gas evolved from pyrolyzed powder samples and separated in a gas chromatograph; and, (ii) ions directly desorbed from crushed solid samples at Mars ambient pressure, as enabled by a pulsed UV laser system, fast-actuating aperture valve and capillary ion inlet. Breadboard ITMS and associated electronics have been advanced to high end-to-end fidelity in preparation for flight hardware delivery to Germany in 2015.

linear ion trap mass spectrometer↗
NASA NTRS2015

Design and Demonstration of the Mars Organic Molecule Analyzer (MOMA) on the ExoMars 2018 Rover

The Mars Organic Molecule Analyzer (MOMA) investigation is a key astrobiology experiment scheduled to launch on the joint ESA-Roscosmos ExoMars 2018 rover mission. MOMA will examine the chemical composition of geological samples acquired from depths of up to two meters below the martian surface, where fragile organic molecules may be protected from destructive cosmic radiation and/or oxidative chemical reactions. The heart of the MOMA mass spectrometer subsystem (i.e., MOMA-MS) is a miniaturized linear ion trap (LIT) that supports two distinct modes of operation to detect: i) volatile and semi-volatile, low-to-moderate mass organics (less than or equal to 500 Da) via pyrolysis coupled with gas chromatography mass spectrometry (pyr/GCMS); and, ii) more refractory, moderate-to-high mass compounds (up to 1000 Da) via laser desorption (LDMS) at ambient Mars pressures. Additionally, the LIT mass analyzer enables selective ion trapping via multi-frequency waveform ion excitation (e.g., stored waveform inverse Fourier transform, or SWIFT), and structural characterization of complex molecules using tandem mass spectrometry (MSIMS). A high-fidelity Engineering Test Unit (ETU) of MOMAMS, including the LIT subassembly, dual-gun electron ionization source, micropirani pressure gauge, solenoid-driven aperture valve, redundant detection chains, and control electronics, has been built and tested at NASA GSFC under relevant operational conditions (pressure, temperature, etc.). Spaceflight qualifications of individual hardware components and integrated subassemblies have been validated through vibration, shock, thermal, lifetime, and performance evaluations. The ETU serves as a pathfinder for the flight model buildup, integration and test, as the ETU meets the form, fit and function of the flight unit that will be delivered to MPS in late 2015. To date, the ETU of MOMA-MS has been shown to meet or exceed all functional requirements, including mass range, resolution, accuracy, instrumental drift, and Iimit-of-detection specifications, thereby enabling the primary science objectives of the MOMA investigation and ExoMars 2018 mission.

Mars Organic Molecule Analyzer↗
DOE OSTI2022

Bayesian estimation of the $S$ factor and thermonuclear reaction rate for 16 O(p, γ) 17 F

The 16 O(p, γ) 17 F reaction is the slowest hydrogen-burning process in the CNO mass region. Its thermonuclear rate sensitively impacts predictions of oxygen isotopic ratios in a number of astrophysical sites, including AGB stars. The reaction has been measured several times at low bombarding energies using a variety of techniques. The most recent evaluated experimental rates have a reported uncertainty of about 7.5% below 1 GK. However, the previous rate estimate represents a best guess only and was not based on rigorous statistical methods. We apply a Bayesian model to fit all reliable 16 O(p, γ) 17 F cross section data, and take into account independent contributions of statistical and systematic uncertainties. The nuclear reaction model employed is a single-particle potential model involving a Woods-Saxon potential for generating the radial bound state wave function. The model has three physical parameters, the radius and diffuseness of the Woods-Saxon potential, and the asymptotic normalization coefficients (ANCs) of the final bound state in 17 F. Here, we find that performing the Bayesian S -factor fit using ANCs as scaling parameters has a distinct advantage over adopting spectroscopic factors instead. Based on these results, we present the first statistically rigorous estimation of experimental 16 O(p, γ) 17 F reaction rates, with uncertainties (±4.2%) of about half the previously reported values.

6 ≤ A ≤ 19↗
NASA NTRS1976

Computer subroutines for the estimation of nuclear reaction effects in proton-tissue-dose calculations

Calculational methods for estimation of dose from external proton exposure of arbitrary convex bodies are briefly reviewed. All the necessary information for the estimation of dose in soft tissue is presented. Special emphasis is placed on retaining the effects of nuclear reaction, especially in relation to the dose equivalent. Computer subroutines to evaluate all of the relevant functions are discussed. Nuclear reaction contributions for standard space radiations are in most cases found to be significant. Many of the existing computer programs for estimating dose in which nuclear reaction effects are neglected can be readily converted to include nuclear reaction effects by use of the subroutines described herein.

Wilson, J. W.↗
NASA NTRS2015

Combustion Characteristics in a Non-Premixed Cool-Flame Regime of n-Heptane in Microgravity

A series of distinct phenomena have recently been observed in single-fuel-droplet combustion tests performed on the International Space Station (ISS). This study attempts to simulate the observed flame behavior numerically using a gaseous n-heptane fuel source in zero gravity and a time-dependent axisymmetric (2D) code, which includes a detailed reaction mechanism (127 species and 1130 reactions), diffusive transport, and a radiation model (for CH4, CO, CO2, H2O, and soot). The calculated combustion characteristics depend strongly on the air velocity around the fuel source. In a near-quiescent air environment (< or = 2 mm/s), with a sufficiently large fuel injection velocity (1 cm/s), a growing spherical diffusion flame extinguishes at ≈1200 K due to radiative heat losses. This is typically followed by a transition to the low-temperature (cool-flame) regime with a reaction zone (at ≈700 K) in close proximity to the fuel source. The 'cool flame' regime is formed due to the negative temperature coefficient in the low-temperature chemistry. After a relatively long period (≈18 s) of the cool flame regime, a flash re-ignition occurs, associated with flame-edge propagation and subsequent extinction of the re-ignited flame. In a low-speed (≈3 mm/s) airstream (which simulates the slight droplet movement), the diffusion flame is enhanced upstream and experiences a local extinction downstream at ≈1200 K, followed by steady flame pulsations (≈0.4 Hz). At higher air velocities (4-10 mm/s), the locally extinguished flame becomes steady state. The present axisymmetric computational approach helps in revealing the non-premixed 'cool flame' structure and 2D flame-flow interactions observed in recent microgravity droplet combustion experiments.

diffusion flame↗