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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Winds, Water Budgets and Stable Isotopes in Tropical Cyclones using TRMM and QUICKSCAT

Water vapor is the most abundant greenhouse gas in the atmosphere. Changes in its concentration and distribution are controlled by the hydrologic cycle. Because of its capacity to absorb and emit long wave radiation, release latent heat during condensation in storms and reflect short wave radiation when clouds form it has a major impact on Global climate change. The stable isotope ratios of water are H20 H2l6O and H0 H2l6O. These ratios change whenever water undergoes a phase change. They also change in both rain and water vapor whenever an air parcel is exposed to rain. In addition the relative changes in the two ratios differ as a &nction of the relative humidity. In short, the stable isotope ratios in water vapor in the atmosphere contain an integrated history of the processes affecting the concentration and distribution of water vapor in the atmosphere. Therefore the measurement and interpretation of changes in these stable isotope ratios are a powerful tool matched by no other method in tracing the transport history of water in the atmosphere. Our initial studies under this grant focused on the changes of the stable isotope ratios of precipitation and water vapor in tropical cyclones. The changes in time and space were found to be very large and to trace the transport of water in the storms reflecting changes in basic structural features. Because the stable isotope ratios of rains from tropical cyclones are so low flooding associated with land falling tropical cyclones introduces a negative isotopic spike into the coastal surface waters. In addition the stable isotope ratios of water vapor in the vicinity of tropical cyclones is anomalously low. This suggests that carbonate shelled organisms such as ostracoda living in coastal waters have the potential to record the isotopic spike and thereby provide a long term record of tropical storm activity in sediment cores containing fossil shells. Likewise, tree rings in coastal environments offer a similar potential. We have analyzed the oxygen isotopic composition of ostrcoda shells formed in the floodwaters of Tropical Storm Allison (2001) and discovered the negative isotopic 1 16 spike. Because we had learned that storm activity has a major impact on the stable isotope ratios of water vapor in the tropics and sub-tropics we decided to analyze the isotopic compositions of water vapor in different locations in the tropics. We did this in Puerto Escondido, Mexico in July 1998, near Kwajalein Island in the Pacific in 1999 as part of a TRMM summer field program and in 2001 in Key West, Florida as part of the CAMEX 4 summer field program. Our isotopic studies along with our earlier tropical cyclone studies showed that the low isotopic ratios in water vapor induced by exposure to rains the storms persisted for 48 hours often far away from the original storm site. We also noted that positive isotopic spikes were introduced into atmospheric water vapor if winds were high and extensive sea spray was present. These findings have a significant impact on the interpretation of the stable isotope studies of tropical ice cores found in the high mountain regions of the tropics. The assumption made in interpreting the ice core record is that the source water vapor evaporated from the sea surface is in near isotopic equilibrium with the seawater and undergoes a decrease during its transport that reflects the change in temperature from the sea surface to the site of the ice core. Because an additional isotopic depletion occurs at the sea surface source area that depends on the intensity, duration and size of the tropical rain system the isotopic variations found in the ice cores must take into account changes in past storm activity in the tropics. These systems must be an important source of water vapor to the ice cores because they charge the troposphere with water vapor to a far greater vertical height than evaporation in quiescent regions. Finally, an interest in increased heat transfer in thnterior of tropical cyclones resulting from greater amounts of sea spray is a topic of considerable interest to the research community. Increases in sea spray may be related to rapid changes in the intensity of hurricanes, a feature of hurricanes that currently is very poorly forecast. Project CBLAST of the Hurricane Research Division of NOAA is an active program that uses P3 research aircraft to evaluate this problem. An instrument has been designed and built at the University of Houston that will be placed on the P3 research aircraft during the 2004 hurricane season. It continuously measures the salt content of rain in hurricanes. Changes in the salt content of the rains should reflect the abundance of sea spray at the sea surface. In this way maps of sea spray intensity in hurricanes may be forthcoming. This should help computer modelers who simulate hurricanes to better understand the potential of changes in sea spray to change the intensity of hurricanes. The cost of designing, building and installing this instrument was borne largely by funding from this NASA grant. A list of presentations at national meetings and publications that were as the result of funding from this NASA grant are found in the report.

Lawrence, James R.↗
DOE OSTI2020

Facile Decomposition of Organophosphonates by Dual Lewis Sites on a Fe 3 O 4 (111) Film

Dimethyl methylphosphonate (DMMP) is used as a simulant for toxic nerve agents and pesticides, rendering the understanding of surface chemistry requisite to design effective materials for organophosphonate (catalytic) decomposition at room temperature. In this work, DMMP surface chemistry is studied on an iron oxide surface in a very well-defined environment using temperature-programmed reaction, isotopic labeling, scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory. DMMP, (CH 3 O) 2 P(O)(CH 3 ), dissociates to yield methoxy and methyl methylphosphonate, (CH 3 O)P(O) 2 (CH 3 ), on the surface at room temperature. At higher temperatures, dimethyl ether is formed via intramolecular reaction, followed by the formation of formaldehyde and methanol from adsorbed methoxy decomposition during temperature-programmed reaction. Ultimately, stochiometric combustion at 870 K produces CO, H 2 C=O, and CO 2 via reaction with lattice oxygen, with PO x remaining on the surface. Excess oxygen from the bulk is required to drive these higher temperature pathways. Neither hydrolysis nor a photoreaction is observed, when exposing the adsorbed DMMP to water or light above the band gap, respectively. No evolution of P-containing species is detected, indicating efficient trapping of this contaminant. The activity for DMMP decomposition at room temperature is reduced by the accumulation of PO x . However, a significant amount of reaction persists after multiple temperature-programmed reaction experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1996

Meteoritic Sulfur Isotopic Analysis

Funds were requested to continue our program in meteoritic sulfur isotopic analysis. We have recently detected a potential nucleosynthetic sulfur isotopic anomaly. We will search for potential carriers. The documentation of bulk systematics and the possible relation to nebular chemistry and oxygen isotopes will be explored. Analytical techniques for delta(sup 33), delta(sup 34)S, delta(sup 36)S isotopic analysis were improved. Analysis of sub milligram samples is now possible. A possible relation between sulfur isotopes and oxygen was detected, with similar group systematics noted, particularly in the case of aubrites, ureilites and entstatite chondrites. A possible nucleosynthetic excess S-33 has been noted in bulk ureilites and an oldhamite separate from Norton County. High energy proton (approximately 1 GeV) bombardments of iron foils were done to experimentally determine S-33, S-36 spallogenic yields for quantitation of isotopic measurements in iron meteorites. Techniques for measurement of mineral separates were perfected and an analysis program initiated. The systematic behavior of bulk sulfur isotopes will continue to be explored.

Thiemens, Mark H.↗
DOE OSTI2024

Isotope Production Education and Research via a Systematic Study of Photo-nuclear Reaction Yields and Excitation Functions

A new collaboration between the New Mexico Institute of Mining and Technology, Idaho State University, and Idaho National Laboratory builds the domestic workforce in isotope production and related science and technologies by conducting research and education programs related to photo-nuclear reactions. Workforce development was identified by the Department of Energy’s Office of Science in the Reaching a New Energy Sciences Workforce (RENEW) program that seeks to engage underrepresented university students in isotope production activities. This collaboration includes coursework development, student training, and isotope production research utilizing photo-nuclear reactions at electron linear accelerators. Bremsstrahlung-weighted excitation functions and cross-sections will be measured and the use of nanomaterials to exploit kinematic recoil reactions will be investigated. Students will be hosted at the Idaho National Laboratory where mentors will provide opportunities to explore careers in nuclear science and technology. This presentation regards the ongoing progress of the research and education objectives of the collaboration that was performed under the Office of Science Isotopes Program under award number D000-22-2765.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1979

Isotopes of titanium in cool stars

A program of stellar Ti isotopic-abundance determinations is described and related to changes that may have occurred in the Ti isotopic abundance ratios during the chemical evolution of the Galaxy, and to whether the abundance ratios are perturbed in the S and MS stars having atmospheres with enhanced abundances of s-process nuclei resulting from convective mixing after internal exposure to neutrons. High-resolution (0.07 A) Reticon spectra of portions of the TiO gamma (0,0), gamma (0,1), and delta (0,0) bands were the source material, and particular emphasis was placed on the definition of the continuum level. The isotopic abundance ratios are terrestrial in all of the sample, and errors in the (Ti-i)/(Ti-48) ratio are typically plus or minus 25% for the dwarfs and plus or minus 50% for the giants. The observations show that the magic nucleus Ti-50 is not enhanced in S and MS stars.

Clegg, R. E. S.↗
NASA NTRS1994

Simulation of gamma-ray spectra for a variety of user-specified detector designs

The gamma-ray spectrum simulation program BSIMUL was designed to allow the operator to follow the path of a gamma-ray through a detector, shield and collimator whose dimensions are entered by the operator. It can also be used to simulate spectra that would be generated by a detector. Several improvements have been made to the program within the last few months. The detector, shield and collimator dimensions can now be entered through an interactive menu whose options are discussed below. In addition, spectra containing more than one gamma-ray energy can now be generated with the menu - for isotopes listed in the program. Adding isotopes to the main routine is also quite easy. Subroutines have been added to enable the operator to specify the material and dimensions of a collimator. This report details the progress made in simulating gamma-ray spectra for a variety of user-specified detector designs. In addition, a short discussion of work done in the related areas of pulse shape analysis and the spectral analysis is included. The pulse shape analysis and spectral analysis work is being performed pursuant to the requirements of contract F-94-C-0006, for the Advanced Research Projects Agency and the U.S. Air Force.

Rester, A. C., Jr.↗
DOE OSTI2019

Oxidative Cross-Esterification and Related Pathways of Co-Adsorbed Oxygen and Ethanol on Pd–Au

Ethanol is one of the most important industrial chemicals considering its wide range of uses. From ultrahigh vacuum (UHV) experiments, we were able to effectively produce acetaldehyde and ethyl acetate on a Pd–Au model catalyst. The presence of oxygen at the Pd–Au interface sites was found to be highly reactive for ethanol dehydrogenation, significantly increasing acetaldehyde production and promoting cross-esterification to produce ethyl acetate. Density functional theory calculations show that compared to the bare PdAu(111) surface, the presence of preadsorbed oxygen and the subsequently formed hydroxyl group leads to highly active and selective initial ethanol dehydrogenation at the O–H and α–C-H position, which was corroborated by isotope-labeling experiments. Specifically, using temperature-programmed desorption with the isotope CD 3 CH2OH, we identified C–C bond breakage through methane production. Furthermore, the simultaneous desorption of D2 with ethyl acetate from the oxidation of CD 3 CD 2 OD suggests that the abstraction of hydrogen from acetaldehyde and/or ethanol is a relevant step in ethyl acetate production, which is supported by our theoretical predictions. These results shed light on the mechanistic pathways of having oxygen and ethanol coadsorbed on Pd–Au surfaces, which has significant implications for industrial applications such as fuel cells where catalytic design plays a major role in the efficiency of power production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Paths to superheavy nuclei

This document summarizes the discussions and outcomes of the Facility for Rare Isotope Beams (FRIB) Theory Alliance topical program ‘The path to Superheavy Isotopes’ held in June 2024 at FRIB. Its content is non-exhaustive, reflecting topics chosen and discussed by the participants. The program aimed to assess the current status of theory in superheavy nuclei (SHN) research and identify necessary theoretical developments to guide experimental programs and determine fruitful production mechanisms. This report details the intersection of SHN research with other fields, provides an overview of production mechanisms and theoretical models, discusses future needs in theory and experiment, explores other potential avenues for SHN synthesis, and highlights the importance of building a strong theory community in this area.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Determination of Collision Cross Sections Using a Fourier Transform Electrostatic Linear Ion Trap Mass Spectrometer

Collision cross sections (CCSs) were determined from the frequency-domain linewidths in a Fourier transform electrostatic linear ion trap. With use of an ultrahigh-vacuum precision leak valve and nitrogen gas, transients were recorded as the background pressure in the mass analyzer chamber was varied between 4× 10{sup -8} and 7 × 10{sup -7} Torr. The energetic hard-sphere ion–neutral collision model, described by Xu and coworkers, was used to relate the recorded image charge to the CCS of the molecule. In lieu of our monoisotopically isolating the mass of interest, the known relative isotopic abundances were programmed into the Lorentzian fitting algorithm such that the linewidth was extracted from a sum of Lorentzians. Although this works only if the isotopic distribution is known a priori, it prevents ion loss, preserves the high signal-to-noise ratio, and minimizes the experimental error on our homebuilt instrument. Six tetraalkylammonium cations were used to correlate the CCS measured in the electrostatic linear ion trap with that measured by drift-tube ion mobility spectrometry, for which there was an excellent correlation (R{sup 2} ≈ 0.9999). Although the absolute CCSs derived with our method differ from those reported, the extracted linear correlation can be used to correct the raw CCS. With use of [angiotensin II]{sup 2+} and reserpine, the corrected CCSs (334.9 ± 2.1 and 250.1 ± 0.5, respectively) were in good agreement with the reported ion mobility spectrometry CCSs (335 and 254.3, respectively). With sufficient signal-to-noise ratio, the CCSs determined are reproducible to within a fraction of a percent, comparable to the uncertainties reported on dedicated ion mobility instruments. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Significant Roles of Surface Hydrides in Enhancing the Performance of Cu/BaTiO 2.8 H 0.2 Catalyst for CO 2 Hydrogenation to Methanol

Abstract Tuning the anionic site of catalyst supports can impact reaction pathways by creating active sites on the support or influencing metal‐support interactions when using supported metal nanoparticles. This study focuses on CO 2 hydrogenation over supported Cu nanoparticles, revealing a 3‐fold increase in methanol yield when replacing oxygen anions with hydrides in the perovskite support (Cu/BaTiO 2.8 H 0.2 yields ~146 mg/h/gCu vs. Cu/BaTiO 3 yields ~50 mg/h/gCu). The contrast suggests that significant roles are played by the support hydrides in the reaction. Temperature programmed reaction and isotopic labelling studies indicate that BaTiO 2.8 H 0.2 surface hydride species follow a Mars van Krevelen mechanism in CO 2 hydrogenation, promoting methanol production. High‐pressure steady‐state isotopic transient kinetic analysis (SSITKA) studies suggest that Cu/BaTiO 2.8 H 0.2 possesses both a higher density and more active and selective sites for methanol production compared to Cu/BaTiO 3 . An operando high‐pressure diffuse reflectance infrared spectroscopy (DRIFTS)‐SSITKA study shows that formate species are the major surface intermediates over both catalysts, and the subsequent hydrogenation steps of formate are likely rate‐limiting. However, the catalytic reactivity of Cu/BaTiO 2.8 H 0.2 towards the formate species is much higher than Cu/BaTiO 3 , likely due to the altered electronic structure of interface Cu sites by the hydrides in the support as validated by density functional theory (DFT) calculations.

He, Yang↗
DOE OSTI2020

HFIRCON Version 1.0.5 User Guide

The High Flux Isotope Reactor (HFIR) Controller (HFIRCON) code is a collection of python routines and C plugins that automate the workflow for fuel and single- or multicycle target depletion analyses for HFIR at Oak Ridge National Laboratory (ORNL). This code calls the LAVAMINT (LAVA Model Interrogator) parallel (MCNP) Monte Carlo N-Particle model interrogator to stochastically calculate cell volumes and bounding boxes, the ADVANTG (Automatic Variance Reduction Generation) code package for all variance reduction and source biasing calculations, the ORNL-Transformative Neutronics/MCNP5 transport solver for all transport solutions, and the MSX_DEPLETE module to perform all depletion calculations via the ORIGEN (Oak Ridge Isotope Generation) application programming interface. It also performs a robust set of postprocessing functions to automatically provide summaries of several key metrics that are common to a wide variety of typical HFIR design and safety-basis analyses.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Management of Fissionable Equivalent Mass Materials at ORNL - 20146

The US DOE manages an inventory of materials that contains a range of long-lived radioactive isotopes that were produced from the 1960's through the 1980's by irradiating targets in production reactors to produce special heavy isotopes for US DOE programmatic use, scientific research, and industrial and medical applications. Since the production reactors and enrichment facilities that produced many of these materials have been shut down, they are considered unique materials that are not likely to be produced again. ORNL uses these materials in US DoE's center for production, storage, and distribution of TRU isotopes (plutonium through californium) and other related nuclear research programs. ORNL also operates the High Flux Isotope Reactor, which provides a high neutron source for production of isotopes for medical, industrial, and nuclear research programs. As a result, ORNL has an inventory of radioisotopes that are being managed for ongoing research programs and being held for reuse because they have potential intrinsic value to US DOE. An initiative is underway at ORNL to better manage these materials, particularly focusing on those with high fissionable equivalent mass that could impact the ability to perform ongoing or new research projects. This paper describes the actions ORNL is taking to manage these inventories, many of which consist of TRU materials, through reuse and disposal. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Mathematical Modeling of Nonstationary Separation Processes in a Cascade of Gas Centrifuges for Separation of Tungsten Isotopes

We have developed and program-realized a mathematical model of nonstationary separation processes proceeding in cascades of gas centrifuges for separation of multicomponent isotope mixtures. With the help of this model we have calculated the parameters of nonstationary separation processes proceeding in the cascades of gas centrifuges for tungsten isotope separation. It has been shown that the model adequately describes the nonstationary processes in the cascade and is suitable for calculating their parameters during separation of multicomponent isotope mixtures.

42 ENGINEERING↗
DOE OSTI2023

Zirconium Nuclear Data Campaign: Measurement of 90 Zr ( n, γ ) Cross Section

The isotopes of Zr with A = [90, 91, 92, 94] make up more than 97% of naturally occurring Zr and are important to many nuclear applications such as nuclear reactors. One of the attractive qualities of naturally occurring Zr isotopes is that they have a low σ γ /σ t ratio at most neutron energies. Thus, they improve the neutron economy in reactors by preferentially scattering neutrons rather than absorbing them. This same quality also presents a challenge to measuring the capture cross section, σ γ , of Zr isotopes. The ENDF/B VIII.0 library has a relative uncertainty of approximately 10–20% for incident neutron energies < 0.1 MeV and an uncertainty greater than 20% for energies > 0.1 MeV for the majority of natural Zr isotopes. This motivated the Nuclear Criticality Safety Program to embark on a campaign to accurately measure and evaluate these Zr isotopes. In this work, we demonstrate energy-dependent neutron capture cross section measurements for the first enriched sample to be measured: 90 Zr.

07 ISOTOPE AND RADIATION SOURCES↗