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NASA NTRS1992

Shear coaxial injector atomization phenomena for combusting and non-combusting conditions

Measurements of LOX drop size and velocity in a uni-element liquid propellant rocket chamber are presented. The use of the Phase Doppler Particle Analyzer in obtaining temporally-averaged probability density functions of drop size in a harsh rocket environment has been demonstrated. Complementary measurements of drop size/velocity for simulants under cold flow conditions are also presented. The drop size/velocity measurements made for combusting and cold flow conditions are compared, and the results indicate that there are significant differences in the two flowfields.

Pal, S.↗

NASA NTRS1994

Atomic data from the iron project. 3: Rate coefficients for electron impact excitation of boron-like ions: Ne VI, Mg VIII, Al IX, Si X, S XII, Ar XIV, Ca XVI and Fe XXII

Collison strengths and maxwellian averaged rate coefficients have been calculated for the 105 transitions among all 15 fine structure levels of the 8 LS terms 2s(sup 2) 2 P(P-2(sup 0 sub 1/, 3/2)), 2s2p(sup 2)(P-4(sub 1/2,3/2,5/2), D-2(sub 3/2, 5/2), S-2(sub 1/2), P-2(sub 1/2, 3/2)), 2p(sup 3)(S-4(sup 0)(sub 3/2), D-2(sup 0 sub 3/2, 5/2), P-2(sup 0 sub 1/2, 3/2)) in highly- charged B-like Ne, Mg, Al, Si, S, Ar, Ca and Fe. Rate coefficients have been tabulated at a wide range of temperatures, depending on the ion charge and abundance in plasma sources. Earlier work for O IV has also been extended to include the high temperature range. A brief discussion of the calculations, sample results, and comparison with earlier works is also given. While much of the new data should be applicable to UV spectral diagnostics, the new rates for the important ground state fine structure transition P-2(sup 0 sub 1/2)-P-2(sup 0 sub 3/2) should result in significant revision of the IR cooling rates in plasmas where B-like ions are prominent constituents, since the new rate coefficients are generally higher by several factors compared with the older data.

Zhang, Hong Lin↗

NASA NTRS2001

Viscosity Relaxation in Molten HgZnTe

Rotating cup measurements of the viscosity of the pseudo-binary melt, HgZnTe have shown that the isothermal liquid with zinc mole fraction 0.16 requires tens of hours of equilibration time before a steady viscous state can be achieved. Over this relaxation period, the viscosity at 790 C increases by a factor of two, while the viscosity at 810 C increases by 40%. Noting that the Group VI elements tend to polymerize when molten, we suggest that the viscosity of the melt is enhanced by the slow formation of Te atom chains. To explain the build-up of linear Te n-mers, we propose a scheme, which contains formation reactions with second order kinetics that increase the molecular weight, and decomposition reactions with first order kinetics that inactivate the chains. The resulting rate equations can be solved for the time dependence of each molecular weight fraction. Using these molecular weight fractions, we calculate the time dependence of the average molecular weight. Using the standard semi-empirical relation between polymer average molecular weight and viscosity, we then calculate the viscosity relaxation curve. By curve fitting, we find that the data imply that the rate constant for n-mer formation is much smaller than the rate constant for n-mer deactivation, suggesting that Te atoms only weakly polymerize in molten HgZnTe. The steady state toward which the melt relaxes occurs as the rate of formation of an n-mer becomes exactly balanced by the sum of the rate for its deactivation and the rate for its polymerization to form an (n+1)-mer.

Su, Ching-Hua↗

DOE OSTI2024

Adaptive finite differencing in high accuracy electronic structure calculations

Abstract A multi-order Adaptive Finite Differencing (AFD) method is developed for the kinetic energy operator in real-space, grid-based electronic structure codes. It uses atomic pseudo orbitals produced by the corresponding pseudopotential codes to optimize the standard finite difference (SFD) operators for improved precision. Results are presented for a variety of test systems and Bravais lattice types, including the well-known Δ test for 71 elements in the periodic table, the Mott insulator NiO, and borax decahydrate, which contains covalent, ionic, and hydrogen bonds. The tests show that an 8th-order AFD operator leads to the same average Δ value as that achieved by plane-wave codes and is typically far more accurate and has a much lower computational cost than a 12th-order SFD operator. The scalability of real-space electronic calculations is demonstrated for a 2016-atom NiO cell, for which the computational time decreases nearly linearly when scaled from 18 to 144 CPU-GPU nodes.

Briggs, E. L. (ORCID:0000000343983492)↗

DOE OSTI2024

Adiabatic expansion cooling of antihydrogen

Magnetically trapped antihydrogen atoms can be cooled by expanding the volume of the trap in which they are confined. We report a proof-of-principle experiment in which antiatoms are deliberately released from expanded and static traps. Antiatoms escape at an average trap depth of 0.08 ± 0.01 K (statistical errors only) from the expanded trap while they escape at average depths of 0.22 ± 0.01 and 0.17 ± 0.01 K from two different static traps. (We employ temperature-equivalent energy units.) Detailed simulations qualitatively agree with the escape times measured in the experiment and show a decrease of 38 % (statistical error < 0.2 % ) in the mean energy of the population after the trap expansion without significantly increasing antiatom loss compared to typical static confinement protocols. This change is bracketed by the predictions of one-dimensional and three-dimensional semianalytic adiabatic expansion models. These experimental, simulational, and model results are consistent with obtaining an adiabatically cooled population of antihydrogen atoms that partially exchanged energy between axial and transverse degrees of freedom during the trap expansion. This result is important for future antihydrogen gravitational experiments which rely on adiabatic cooling, and it will enable antihydrogen cooling beyond the fundamental limits of laser cooling. Published by the American Physical Society 2024

Ahmadi, M.↗

DOE OSTI2021

Evidence of an oxidation induced phase transformation for a delta phase plutonium-gallium alloy

The oxidation of an ~1.5 at% Ga plutonium metal alloy in dry air as a function of time was studied using a combination of FIB-SEM, AES, and XRD. Analysis of SEM images of FIB cross-sections of the oxide allowed for direct measurement of the oxide thickness as well as determination of heterogeneity in the extent of the oxide. AES analysis performed on cross-sections of the oxide allowed for quantitative analysis of the atomic composition and semi-quantitative analysis of the chemical composition. Initial preparation of the sample was found to induce a martensitic transformation to α' - Pu with an average thickness of 233 nm. Electropolishing was found to be sufficient to fully remove the α' layer with creation of only a minimum oxide layer. Growth of the oxide in dry air was found to initially follow parabolic kinetics, with a parabolic rate constant orders of magnitude higher than expected for δ-Pu but in-line with values extrapolated to room temperature for α-Pu. Following complete oxidation of the initial α` layer, further regions of plutonium metal depleted in gallium were observed to form at the oxide / metal interface. However, gallium, as Ga 2 O 3 , was found to be enriched at the surface and present in the oxide in an amount comparable to the relative Ga:Pu ratio of the bulk metal alloy. Finally, the results presented here serve to bridge a diverse array of previous experimental and theoretical data and provide the first comprehensive view of the fate of the δ-stabilizer during formation of an oxide.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Effects of irradiation spectrum on the microstructural and mechanical properties of bulk metallic glasses

Zr 52.5 Cu 17.9 Ni 14.6 Al 10 Ti 5 (BAM-11) and Cu60Zr 20 Hf 10 Ti 10 bulk metallic glass (BMG) specimens were ion irradiated to characterize and compare their irradiation induced microstructural and mechanical property evolution. For the ion irradiations, samples of each BMG were exposed to 9 MeV Ni 3+ and 5.5 MeV C + ions to a midrange (~1.5 μm depth) dose of 0.5 displacements per atom (dpa) at temperatures ranging from room temperature to 360 °C in order to examine potential effects associated with low (5.5 MeV C) and high (9 MeV Ni) average primary knock on energies. BAM-11 BMG samples were also irradiated by neutrons (E > 0.1 MeV) at ~70 °C to a fluence of 1.4 × 10 20 n/cm 2 (dose of 0.1 dpa). Importantly, no pronounced irradiation spectrum effects were observed for the nanoindentation mechanical properties of the two BMGs following ion irradiation. However, significant softening was observed in the BAM-11 BMG sample irradiated by neutrons, while annealing of the unirradiated samples led to a marked increase in hardening. Finally, results of the nanoindentation experiments indicate that softening is caused by irradiation induced creation of free volume defects, while the hardening is caused by their annihilation.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Results from the Baksan Experiment on Sterile Transitions (BEST)

The Baksan Experiment on Sterile Transitions (BEST) was designed to investigate the deficit of electron neutrinos 𝜈𝑒 observed in previous gallium-based radiochemical measurements with high-intensity neutrino sources, commonly referred to as the “gallium anomaly,” which could be interpreted as evidence for oscillations between 𝜈𝑒 and sterile neutrino (𝜈 𝑠 ) states. A 3.414-MCi 51 Cr 𝜈 𝑒 source was placed at the center of two nested Ga volumes and measurements were made of the production of 71 Ge through the charged current reaction, 71 Ga ⁢(𝜈 𝑒 ,𝑒 − ) ⁢71 Ge, at two average distances. The measured production rates for the inner and the outer targets, respectively, are [54.9$^{+2.5}_{−2.4}$⁢(stat) ± 1.4⁢(syst)] and [55.6$^{+2.7}_{−2.6}$⁢(stat) ± 1.4⁢(syst)] atoms of 71 Ge/𝑑. The ratio (𝑅) of the measured rate of 71 Ge production at each distance to the expected rate from the known cross section and experimental efficiencies are 𝑅 in = 0.79 ± 0.05 and 𝑅 out = 0.77 ± 0.05. The ratio of the outer to the inner result is 0.97 ± 0.07, which is consistent with unity within uncertainty. The rates at each distance were found to be similar, but 20%–24% lower than expected, thus reaffirming the anomaly. Furthermore, these results are consistent with 𝜈 𝑒 → 𝜈 𝑠 oscillations with a relatively large Δ⁢𝑚 2 (>0.5 eV 2 ) and mixing sin 2 ⁡2⁢𝜃 (≈ 0.4).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Comparison of All Solid Cancer Mortality and Incidence Dose-Response in the Life Span Study of Atomic Bomb Survivors, 1958–2009

Recent analysis of all solid cancer incidence (1958–2009) in the Life Span Study (LSS) revealed evidence of upward curvature in the radiation dose response among males but not females. Upward curvature in sex-averaged excess relative risk (ERR) for all solid cancer mortality (1950–2003) was also observed in the 0–2 Gy dose range. As reasons for non-linearity in the LSS are not completely understood, we conducted dose response analyses for all solid cancer mortality and incidence applying similar methods (1958–2009 follow-up, DS02R1 doses, including subjects notin-city (NIC) at the time of the bombing) and statistical models. Incident cancers were ascertained from Hiroshima and Nagasaki cancer registries, while cause of death was ascertained from death certificates over entire Japan. The study included 105,444 LSS subjects who were alive and not known to have cancer before Jan 1, 1958 (80,205 with dose estimates and 25,239 NIC subjects). Between 1958 and 2009, there were 3.1 million person-years (PY) and 22,538 solid cancers for incidence analysis and 3.8 million PY and 15,419 solid cancer deaths for mortality analysis. We fitted sex-specific ERR models adjusted for smoking to both types of data. Over the entire range of doses, solid cancer mortality dose response exhibited a borderline significant upward curvature among males (P=0.062) and significant upward curvature among females (P=0.010); for solid cancer incidence, as before, we found a significant upward curvature among males (P=0.001) but not among females (P=0.624). The sex difference in magnitude of dose response curvature was statistically significant for cancer incidence (P=0.017) but not for cancer mortality (P=0.781). The results of analyses in the 0–2 Gy range and restricted lower dose ranges generally supported inferences made about the sex-specific dose response shape over the entire range of doses for each outcome. Patterns of sex-specific curvature by calendar period (1958–1987 vs 1988–2009) and age at exposure (0–19 vs 20–83) varied between mortality and incidence data, particularly among females, although for each outcome there was an indication of curvature among 0–19 year old male survivors in both calendar periods and among 0–19 year old female survivors in the recent period. Collectively, our findings indicate that the upward curvature in all solid cancer dose response in the LSS is neither specific to males nor to incidence data; it appears to depend on composition of case series and age at exposure or time. Further follow-up and site-specific analyses of cancer mortality and incidence will be important to confirm the emerging trend in dose response curvature among young survivors and unveil the contributing factors and sites.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

NASA NTRS1978

A rocket observation of the far-ultraviolet spectrum of Saturn

Far-ultraviolet (1160-1750 A) spectra of the Saturnian disk and the ring system have been obtained by using a very sensitive rocket-borne spectrograph with a microchannel plate detector. The use of two apertures of different diameter in the telescope focal plane permitted the separation of the contribution of the planetary disk from that of the rings. H I lambda 1216 was the only atomic spectral line emission detected in the planet and the rings. A weak signal from the disk between 1300 A and 1500 A was observed. Geometric disk albedos, averaged over 50 A, were determined from 1500 A to 1700 A. Measurements of the ring reflectivity longward of 1650 A are compatible with H2O frost but not NH3 frost.

Weiser, H.↗

NASA NTRS1980

Mass spectrometric measurements of the neutral gas composition of the thermosphere and exosphere of Venus

The neutral gas composition and density in the thermosphere of Venus is being measured with a quadrupole mass spectrometer on the Pioneer Venus orbiter. Data are obtained near periapsis once per day approximately 150-250 km above the surface. The principal gases in the thermosphere are CO2, CO, N2, O, N, and He. Atomic oxygen is the major constituent above 155 km on the dayside and also on the nightside up to 180 km when helium becomes the major constituent. The average values of CO2, CO, N2, O, and N remain nearly constant during day and night, but an abrupt change occurs across the terminator from a high dayside value to a low nightside value. The helium density varies in the opposite way, and a distinct bulge was observed at night near the morning terminator. The data have been used as the basis of an empirical model. Large orbit to orbit variations in densities were also observed on the nightside, suggesting perhaps strong turbulent motion in the atmosphere below. Kinetic temperatures inferred from scale heights are approximately 285 K on the dayside and 110 K at night. The average global temperature obtained from the model is 199 K.

Niemann, H. B.↗

NASA NTRS1982

Tribological characteristics of nitrogen (N+) implanted iron

The effect of implantation of nitrogen ions (1.5 MeV) on the friction and wear characteristics of pure ion sliding against M-50 steel (unimplanted) was studied in a pin-on-disk sliding friction apparatus. Test conditions included room temperature (25 C), a dry air atmosphere, a load of 1/2 kg (4.9 N), sliding velocities of 0.043 to 0.078 m/sec (15 to 25 rpm), a pure hydrocarbon lubricant (n-hexadecane), or a U.S.P. mineral oil and nitrogen ion implantation doses of 5x10 to the 15th power and 5x10 to the 17th power ions/sq cm. No differences in wear rates were observed in the low dose experiments. In the high dose experiments, small reductions in initial (40 percent) and steady state (20 percent) wear rates were observed for nitrogen implanted iron riders as compared with unimplanted controls. No differences in average friction coefficients were noted for either dose. Auger electron spectroscopy combined with argon ion bombardment revealed a subsurface Gaussian nitrogen distribution with a maximum concentration of 6 atomic percent at a depth of 0.8 microns. Similar analysis within the wear scar of an implanted rider after 20 microns of wear yielded only background nitrogen concentration. No inward migration of nitrogen ions was observed.

Jones, W. R.↗

NASA NTRS1983

Tribological characteristics of nitrogen (N+) implanted iron

Jones, W. R., Jr.↗

NASA NTRS1993

The interstellar abundances of tin and four other heavy elements

Spectra recorded at 1150-1600 A with an instrumental resolution near 16 km/s were obtained with the Goddard High-Resolution Spectrograph on board the HST. The gaseous interstellar abundances of five heavy elements along the light paths to 23 Ori, 15 Mon, 1 Sco, Pi Sco, and Pi Aqr were determined from the observations. The 1400.450 A line of Sn II was detected and identified toward three stars; at Z = 50, tin is the first element from the fifth row of the periodic table to be identified in the interstellar medium. One spectral line of each of Cu II (Z = 29) and Ga II (Z = 31), three lines of Ge II (Z = 32), and two lines of Kr I (Z = 36) were also detected toward some or all of the five stars. The depletions of these five heavy elements generally decrease monotonically with increasing atomic number toward each of the six stars, and tin is generally undepleted within the observational errors. The depletions of 26 elements from the interstellar gas in an average dense interstellar cloud appear to correlate with the elemental 'nebular' condensation temperatures more closely than with the first ionization potentials.

Hobbs, L. M.↗

NASA NTRS1994

A new transient pulsar in the Small Magellanic Cloud with an unusual x-ray spectrum

This article reports the discovery of a luminous (3.5 x 10(exp 37) ergs/sec over the 0.2 to 2 keV band) transient X-ray pulsar in the Small Magellanic Cloud (SMC) with an extremely soft component to its X-ray spectrum. This is the first time that a spectrum of this type has been seen in this class of X-ray source. The pulse period is 2.7632 s, and the pulse modulation appears to vary with energy from nearly unpulsed in the low-energy band of the ROSAT Position Sensitive Proportional Counter (PSPC) (0.07 to 0.4 keV) to about 50% in the high-energy band (1.0 to 2.4 keV). The object, RX J0059.2-7138, also shows flickering variability in its X-ray emission on timescales of 50 to 100s. The pulse-phase-averaged PSPC X-ray spectrum can be well described by a two-component source model seen through an absorbing column density of approximately 10(exp 21) atoms cm(exp -2). One spectral component is a power law with photon index 2.4. The other component is significantly softer and can be described by either a steeply falling power law or a blackbody with a temperature KT(sub BB) approximately 35 eV. Ths component is transient, but evidently upulsed, and, for the blackbody model fits, requires a large bolometric luminosity: near, or even several times greater than, the Eddington luminosity for a 1.4 solar mass object. When these characteristics of its soft emission are considered, RX J0059.2-7138 appears quite similar to other X-ray sources in the magellanic Clouds, such as CAL 83, CAL 87, and RX J0527.8-6954, which show only extreme ultrasoft (EUS) X-ray spectra. The discovery of RX J0059.2-7138, a probably high-mass X-ray binary, clearly indicates that EUS spectra may arise from accretion-powered neutron-star X-ray sources. This result lends support to the idea that some of the 'pure' EUS sources may be shrouded low-mass X-ray binaries rather than accreting white dwarfs.

Hughes, John P.↗

NASA NTRS2001

Ratio of Sodium to Potassium in the Mercurian Exosphere

Sodium (Na) and Potassium (K) atoms can be seen in the exosphere of Mercury and the Moon because they are extremely efficient at scattering sunlight. These species must be derived from surface materials, so that we might expect the ratio of sodium to potassium to reflect the ratio of these elements in the surface crust. This expectation is approximately born out for the Moon, where the ratio of sodium to potassium in the lunar exosphere averages to be about 6, not too far from the ratio in lunar rocks of 2 to 7. However, the ratio in the Mercury exosphere was found to be in the range 80 to 190, and at least once, as high as 400. The sodium and potassium atoms seen in the Mercury exosphere represent a balance between production from the surface and loss to space. Only if the production efficiencies and loss rates for Na and K were equal, would the ratio of Na to K in the exosphere reflect the ratio in the surface rocks. Since a value of 100 or more for the ratio of sodium to potassium in the surface rocks seems very unlikely, the high values of the observed ratios suggests that either production efficiencies or loss processes for the two elements are not equivalent. It does not seem likely that source processes should be different on the Moon and Mercury by an order of magnitude. This suggests that loss processes rather than source processes are the cause of the difference between the two. The major loss processes for sodium and potassium on Mercury are radiation pressure and trapping of photoions by the solar wind. Radiation pressure can reach 50-70% of surface gravity, and can sweep sodium and potassium atoms off the planet, provided they are sufficiently hot. Photoionization followed by trapping of the ions in the solar wind is the other major loss process. Photoions are accelerated to keV energies in the magnetosphere, and may either intercept the magnetopause, and be lost from the planet, or impact the planetary surface. Ions that impact the surface are neutralized, and are then available for resupply to the exosphere. The loss efficiency depends on characteristics of the magnetosphere that determine the fraction of the ions that are recycled by neutralization on the surface. Over the preceding decade, we have collected sodium and potassium data for Mercury at irregular intervals. We analyzed these data to extract values for the Na/K ratio at a variety of conditions on Mercury. Additional information is contained in the original extended abstract.

Potter, A. E.↗

NASA NTRS2001

Atomic Oxygen Abundance in Molecular Clouds: Absorption Toward Sagittarius B2

We have obtained high-resolution (approximately 35 km/s) spectra toward the molecular cloud Sgr B2 at 63 micrometers, the wavelength of the ground-state fine-structure line of atomic oxygen (O(I)), using the ISO-LWS instrument. Four separate velocity components are seen in the deconvolved spectrum, in absorption against the dust continuum emission of Sgr B2. Three of these components, corresponding to foreground clouds, are used to study the O(I) content of the cool molecular gas along the line of sight. In principle, the atomic oxygen that produces a particular velocity component could exist in any, or all, of three physically distinct regions: inside a dense molecular cloud, in the UV illuminated surface layer (PDR) of a cloud, and in an atomic (H(I)) gas halo. For each of the three foreground clouds, we estimate, and subtract from the observed O(I) column density, the oxygen content of the H(I) halo gas, by scaling from a published high-resolution 21 cm spectrum. We find that the remaining O(I) column density is correlated with the observed (13)CO column density. From the slope of this correlation, an average [O(I)]/[(13)CO] ratio of 270 +/- 120 (3-sigma) is derived, which corresponds to [O(I)]/[(13)CO] = 9 for a CO to (13)CO abundance ratio of 30. Assuming a (13)CO abundance of 1x10(exp -6) with respect to H nuclei, we derive an atomic oxygen abundance of 2.7x10(exp -4) in the dense gas phase, corresponding to a 15% oxygen depletion compared to the diffuse ISM in our Galactic neighborhood. The presence of multiple, spectrally resolved velocity components in the Sgr B2 absorption spectrum allows, for the first time, a direct determination of the PDR contribution to the O(I) column density. The PDR regions should contain O(I) but not (13)CO, and would thus be expected to produce an offset in the O(I)-(13)CO correlation. Our data do not show such an offset, suggesting that within our beam O(I) is spatially coexistent with the molecular gas, as traced by (13)CO. This may be a result of the inhomogeneous nature of the clouds.

Lis, D. C.↗

DOE OSTI2022

Growth Optimization and Device Integration of Narrow‐Bandgap Graphene Nanoribbons

Abstract The electronic, optical, and magnetic properties of graphene nanoribbons (GNRs) can be engineered by controlling their edge structure and width with atomic precision through bottom‐up fabrication based on molecular precursors. This approach offers a unique platform for all‐carbon electronic devices but requires careful optimization of the growth conditions to match structural requirements for successful device integration, with GNR length being the most critical parameter. In this work, the growth, characterization, and device integration of 5‐atom wide armchair GNRs (5‐AGNRs) are studied, which are expected to have an optimal bandgap as active material in switching devices. 5‐AGNRs are obtained via on‐surface synthesis under ultrahigh vacuum conditions from Br‐ and I‐substituted precursors. It is shown that the use of I‐substituted precursors and the optimization of the initial precursor coverage quintupled the average 5‐AGNR length. This significant length increase allowed the integration of 5‐AGNRs into devices and the realization of the first field‐effect transistor based on narrow bandgap AGNRs that shows switching behavior at room temperature. The study highlights that the optimized growth protocols can successfully bridge between the sub‐nanometer scale, where atomic precision is needed to control the electronic properties, and the scale of tens of nanometers relevant for successful device integration of GNRs.

36 MATERIALS SCIENCE↗