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NASA NTRS2001

BNL accelerator-based radiobiology facilities

For the past several years, the Alternating Gradient Synchrotron (AGS) at Brookhaven National Laboratory (USA) has provided ions of iron, silicon and gold, at energies from 600 MeV/nucleon to 10 GeV/nucleon, for the US National Aeronautics and Space Administration (NASA) radiobiology research program. NASA has recently funded the construction of a new dedicated ion facility, the Booster Applications Facility (BAF). The Booster synchrotron will supply ion beams ranging from protons to gold, in an energy range from 40-3000 MeV/nucleon with maximum beam intensities of 10(10) to 10(11) ions per pulse. The BAF Project will be described and the future AGS and BAF operation plans will be presented.

NASA Discipline Radiation Health↗

NASA NTRS1974

The vapor pressure of iron pentacarbonyl

Vapor pressure measurements have been made on pure iron pentacarbonyl between +31 and -19 C. The experimental results may be expressed by the logarithm of pressure (mm Hg) to the base 10 equals -(2096.7 K/T) + 8.4959, which corresponds to a heat of vaporization for the liquid carbonyl of delta H ? (9.588 plus or minus 0.12) kcal/mole. This result confirms and extends the earlier measurements made by Trautz and Badstuebner between 0 and 140 C. The need for careful purification of commercially available iron pentacarbonyl is emphasized, particularly for establishing the correct vapor pressure below 45 C.

Gilbert, A. G.↗

NASA NTRS1993

Wet inside and out? Constraints on water in the Martian mantle and on outgassed water, based on melt inclusions in SNC meteorites

Constraints on the volatile inventory and outgassing history of Mars are critical to understanding the origin of ancient valley systems and paleoclimates. Planetary accretion models for Mars allow either a volatile-rich or volatile-poor mantle, depending on whether the accreted materials were fully oxidized or whether accretion was homogeneous so that water was lost through reaction with metallic iron. The amount of water that has been outgassed from the interior is likewise a contentious subject, and estimates of globally distributed water based on various geochemical and geological measurements vary from a few meters to more than a thousand meters. New data on SNC meteorites, which are thought to be Martian igneous rocks, provide constraints on both mantle and outgassed water.

Mcsween, H. Y., Jr.↗

NASA NTRS1972

Plastic set of smooth large radii of curvature thermal conductance specimens at light loads

Thermal contact conductance test data at high vacuum were obtained from two Armco iron specimens having smooth, large radii of curvature, convex, one-half wave length surfaces. The data are compared with calculations based on two macroscopic elastic deformation theories and an empirical expression. Major disagreement with the theories and fair agreement with the empirical expression resulted. Plastic deformation of all the contacting surfaces was verified from surface analyzer statistics. These results indicate that the theoretical assumption of macroscopic elastic deformation is inadequate for accurate prediction of heat transfer with light loads for Armco iron specimens similar to those used in this investigation.

Mckinzie, D. J., Jr.↗

NASA NTRS1972

Plastic set of smooth large radii of curvature thermal conductance specimens at light loads.

Mckinzie, D. J., Jr.↗

NASA NTRS2010

Geomorphic Terrains and Evidence for Ancient Volcanism within Northeastern South Pole-Aitken Basin

The interior of the enigmatic South Pole-Aitken Basin has long been recognized as being compositionally distinct from its exterior. However, the source of the compositional anomaly has been subject to some debate. Is the source of the iron-enhancement due to lower-crustal/upper-mantle material being exposed at the surface, or was there some volume of ancient volcanism that covered portions of the basin interior? While several obvious mare basalt units are found within the basin and regions that appear to represent the original basin interior, there are several regions that appear to have an uncertain origin. Using a combination of Clementine and Lunar Orbiter images, several morphologic units are defined based on albedo, crater density, and surface roughness. An extensive unit of ancient mare basalt (cryptomare) is defined and, based on the number of superimposed craters, potentially represents the oldest volcanic materials within the basin. Thus, the overall iron-rich interior of the basin is not solely due to deeply derived crustal material, but is, in part due to the presence of ancient volcanic units.

Petro, Noah↗

DOE OSTI2025

Effects of iron carbide crystal phases and dopants on the conversions of CO 2 into ethylene

The density functional theory method was used to investigate the conversions of CO 2 to ethylene formation on two common iron carbide surfaces: Fe 3 C(0 1 0) and Fe 5 C 2 (1 1 1). Based on the structure relaxation of reaction intermediates and the elementary reaction transition states. We deduced the most competitive reaction pathways for ethylene production. The main CO 2 -to-ethylene routes and the competition of side products, CO and CH 4 , are discussed. Our analyses showed that CO 2 conversion is surface structure sensitive, whereas CH 4 and C2+ hydrocarbon formations depend on the reactivity of native C atoms in the carbides. To modify the intrinsic catalyst performance, mixing dopants in Fe catalysts is an effective strategy. Furthermore, we demonstrate that doping Zn and Zr can alter the local electronic structure and enhance CO 2 adsorption on the catalyst surface.

CO2 hydrogenation↗

NASA NTRS1973

The use of iron and extended applications of the University of Virginia Cold Balance Wind Tunnel System

The prototype design of the University of Virginia Cold Magnetic Balance Wind Tunnel System, primarily for assured performance, is based on the use of ferrites for the magnetic support element and for the case of spinning missile configurations in supersonic flow. The extension of applicability to noncontinuously spinning airplane configurations and to subsonic flow regimes would be highly desirable. The problems involved in these extensions are discussed. The possible use of iron for the magnetic support element, or some material reasonable equivalent, is found to be crucial. The existing theoretical evidence that iron may be used without penalty is summarized.

Parker, H. M.↗

DOE OSTI2024

Bioelectrochemical reactor to manage anthropogenic sulfate pollution for freshwater ecosystems: Mathematical modeling and experimental validation

Anthropogenic sulfate loading into otherwise low-sulfate freshwater systems can cause significant ecological consequences as a biogeochemical stressor. To address this challenge, in situ bioremediation technologies have been developed to leverage naturally occurring microorganisms that transform sulfate into sulfide rather than implementing resource-intensive physio-chemical processes. However, bioremediation technologies often require the supply of electron donors to facilitate biological sulfate reduction. Bioelectrochemical systems (BES) can be an alternative approach for supplying molecular hydrogen as an electron donor for sulfate-reducing bacteria through water electrolysis. Although the fundamental mechanisms behind BESs have been studied, limited research has evaluated the design and operational parameters of treatment systems when developing BESs on a scale relevant to environmental systems. Further, this study aimed to develop an application-based mathematical model to evaluate the performance of BESs across a range of reactor configurations and operational modes. The model was based on sulfate transformation by hydrogenotrophic sulfate-reducing bacteria coupled with the recovery of solid iron sulfide species formed by the oxidative dissolution of dissolved ferrous iron from a stainless steel anode. Sulfate removal closely corresponded to the rate of electrolytic hydrogen production and hydraulic residence time but was less sensitive to specific microbial rate constants. The mathematical model results were compared to experimental data from a pilot-scale BES tested with nonacidic mine drainage as a case study. The close agreement between the mathematical model and the pilot-scale BES experiment highlights the efficacy of using a mathematical model as a tool to develop a conceptual design of a scaled-up treatment system.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Structural Changes in Metal Chalcogenide Nanoclusters Associated with Single Heteroatom Incorporation

Atomically precise nanoclusters (NCs) are promising building blocks for designing materials and interfaces with unique properties. By incorporating heteroatoms into the core, the electronic and magnetic properties of NCs can be precisely tuned. To accurately predict these properties, density functional theory (DFT) is often employed, making the rigorous benchmarking of DFT results particularly important. In this study, we present a benchmarking approach based on metal chalcogenide NCs as a model system. We synthesized a series of bimetallic, iron-cobalt chalcogenide NCs [Co 6-x Fe x S 8 (PEt 3 ) 6 ] + (x = 0-6) (PEt = triethyl phosphine) and investigated the effect of heteroatoms in the octahedral metal chalcogenide core on their size and electronic properties. Using ion mobility-mass spectrometry (IM-MS), we observed a gradual increase in the collision cross section (CCS) with an increase in the number of Fe atoms in the core. DFT calculations combined with trajectory method CCS simulations successfully reproduced this trend, revealing that the increase in cluster size is primarily due to changes in metal-ligand bond lengths, while the electronic properties of the core remain largely unchanged. Moreover, this method allowed us to exclude certain multiplicity states of the NCs, as their CCS values were significantly different from those predicted for the lowest-energy structures. Here, this study demonstrates that gas-phase IM-MS is a powerful technique for detecting subtle size differences in atomically precise NCs, which are often challenging to observe using conventional NC characterization methods. Accurate CCS measurements are established as a benchmark for comparison with theoretical calculations. The excellent correspondence between experimental data and theoretical predictions establishes a robust foundation for investigating structural changes of transition metal NCs of interest to a broad range of applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Measurement of Photoneutrons from Depleted Uranium and Comparison Study Using MCNPX-PoliMi

High-energy photon interrogation is a nondestructive technique that is used to detect special nuclear materials and characterize nuclear waste. The development of such systems is complex and requires Monte Carlo simulations to optimize system performance. Monte Carlo simulations rely on various scattering, absorption, and photonuclear cross-section data. While the scattering and absorption cross-section data have been extensively studied and validated with experiments, the results obtained from photonuclear simulations are often found to underpredict measured results, indicating uncertainties in the photonuclear cross sections themselves. Thus, there is a need for new measured results that can be used to quantify underpredictions in simulations using photonuclear cross-section data. In the present work, we interrogated depleted uranium with a 9-MV electron linac and detected photoneutrons with trans-stilbene organic scintillators. The measurement of photoneutrons with organic scintillators is challenging due to the presence of the intense photon flux, which causes issues such as pulse pile-up, detector saturation, and poor signal-to-background ratio. To mitigate these challenges, we used iron and polyethylene shielding of varying thicknesses around the depleted uranium target and a neural network–based digital pulse processing algorithm to recover neutron and photon information from piled-up events. Our goal was to compare the measured photoneutron count rate with the simulated rate obtained using the MCNPX-PoliMi transport code. For a light output window of 0.28 to 2.67 MeVee (1.66- to 6.85-MeV proton recoil energy), we found that the simulated count rate obtained using the ENDF/B-VII photonuclear cross-section library underpredicts the measured rate by 32.8% 3.2%. Additionally, we compared the simulated and measured photoneutron light output distributions. For the least thicknesses of shielding, the simulation was found to underpredict measurements in the 0.70- to 2.67-MeVee light output window. For the greatest thicknesses of shielding, the simulation was found to underpredict the measurement across the entire light output window of 0.28 to 2.67 MeVee.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2022

Exposure of Stainless Steel 316 to Subcritical, Transition, and Near-Supercritical Water

This work investigates the oxidation of austenitic stainless steel 316 at temperatures close to the critical point of water: subcritical water at 330°C and 27 MPa, the transition between subcritical and supercritical water at 374°C and 27 MPa, and supercritical water (SCW) at 380°C and 27 MPa. The surfaces of the samples were characterized using x-ray diffraction, Raman spectroscopy, scanning electron microscopy, and x-ray photoelectron spectroscopy before and after exposure. Magnetite (Fe3O4) was found to be present on all surfaces of all samples. The samples exposed to subcritical water also showed the presence of a nickel-iron chromium mixed spinel Ni(Fe2-xCrx)O4. The oxide morphology was observed to vary based on exposure temperature; an increased nucleation and growth rate, and an increased generation of Fe2+ was observed on samples exposed to the transition region and SCW.

Materials Science↗

NASA NTRS1975

The manufacture of hydrogen from coal

The conversion of coal to hydrogen is studied from the viewpoint of overall plant efficiency for three different processes: suspension gasification, fluidized-bed gasification, and fluidized steam-iron process. The basic principles of these processes are reviewed, and total energy requirements are estimated and complete energy balances are made for each process, on the assumption that each model plant is self-contained, with no power imported. Overall plant efficiencies for conversion of coal to major gaseous products plus by-products were determined to be: suspension gasification - 57.0%, fluidized-bed gasification - 66.4%, fluidized steam-iron process - 62.6%. Similar results are presented for methane liquefaction from coal using a process design based on hydrogasification, and it is found that conversion of coal to pipeline methane is much more efficient and less expensive than hydrogen conversion if a portion of the coal is converted to synthesis gas and this gas is used to hydrogenate more coal to methane.

Tsaros, C. L.↗

NASA NTRS1978

Sublimate morphology on 74001 and 74002 orange and black glassy droplets

SEM-EDX analysis of the surface morphology of the 74001 and 74002 orange and black glassy droplets has revealed the presence of ubiquitous micromound coatings. Assuming that the diameter of an individual micromound is an indication of total coating thickness, then the thickness of this volatile and metal-rich layer ranges from less than 20 A to over 300 A in thickness. On rare droplets the micromound coating is partially covered by a sparse population of crystals and masses that are essentially NaCl in composition. Additionally, an irregular mass on the surface of one black droplet may contain free sulfur. Amoeboid masses of iron, some with incipient crystal faces, are also present on a few droplet surfaces. The above features, i.e., halite crystals, sulfur-rich masses and amoeboid iron, are rare; the more common occurrence of metals and volatiles is in the micromound coating. Based on our observations of several hundred spheres from both Apollo and Luna missions, the classic micromound coating is unique to the Apollo 15 green and Apollo 17 orange and black droplets. Although some investigators have proposed various impact sequences to produce these unique droplets, the volcanic fire fountain origin is favored.

Clanton, U. S.↗

DOE OSTI2022

Prussian blue derived catalysts

Prussian blue analog derived catalysts having a composition of highly porous transition metal (“TM”) oxides with nano particle size. Such OER catalysts are synthesized from the PBA, containing cobalt, iron, nickel, copper, manganese, zinc, magnesium etc., as secondary building units (“SBUs”) coordinated by hexacyano-based ligands. Furthermore, the PBA-derived catalysts may also integrated into a highly graphitized carbon network to further improve the conductivity, mass transport and durability against oxidative corrosion.

Liu, Di-Jia↗

DOE OSTI2026

Electrically Accelerated Mechanochemical Film Formation by a Phosphonium Phosphate Ionic Liquid: An In Situ Chemical Kinetics Investigation

Powertrains in electric vehicles are exposed to stray currents that accelerate wear and cause failure of mechanical components. These durability issues are further aggravated when using low-viscosity lubricants, which are desired for energy efficiency but create harsher contact conditions at sliding interfaces. This study investigates a phosphonium phosphate ionic liquid as a performance-enhancing additive in a low-viscosity base oil for lubricating electrified sliding interfaces. Ionic liquids can adsorb and react on contact interfaces via stress-assisted chemical reactions, generating nanometric tribofilms that provide protection against wear. However, the effect of electric fields on the mechanochemistry of ionic liquids is poorly understood, hindering their adoption in lubricants for electrified powertrains. This article reports an in situ optical interferometry study of ionic liquid derived tribofilm growth kinetics at stressed sliding/rolling interfaces under direct currents. The application of electric currents accelerated tribofilm formation up to a critical current density (∼1.4 A/mm 2 ), beyond which pitting-induced wear dominated. The tribofilms were composed of iron phosphates, iron oxides, and carbon species, with iron oxides becoming predominant under applied currents. These tribofilms prevented the scuffing failure of steel surfaces under electrified conditions. Based on the results, a kinetic model is proposed that integrates electric current effect into the classical stress-assisted thermal activation framework to allow prediction of tribofilm growth at electrified sliding contacts. This framework provides crucial guidance for designing next-generation lubricants for electrified transportation and power generation systems.

additives↗

NASA NTRS1973

Iron absorption band analysis for the discrimination of iron rich zones

The author has identified the following significant results. A lineament study of the Nevada test site is near completion. Two base maps (1:500,000) have been prepared, one of band 7 lineaments and the other of band 5 lineaments. In general, more lineaments and more faults are seen on band 5. About 45% of the lineaments appear to be faults and contacts, the others being predominantly streams, roads, railway tracks, and mountain crests. About 25% of the lineaments are unidentified so far. Special attention is being given to unmapped extensions of faults, groups of unmapped lineaments, and known mineralized areas and alteration zones. Earthquake epicenters recorded from 1869 to 1963 have been plotted on the two base maps. Preliminary examination as yet indicates no basic correlation with the lineaments. Attempts are being made to subtract bands optically, using an I2S viewer, an enlarger, and a data color viewer. Success has been limited so far due to technical difficulties, mainly vignetting and poor light sources, within the machines. Some vegetation and rock type differences, however, have been discerned.

Rowan, L. C.↗

NASA NTRS1985

Photo nuclear energy loss term for muon-nucleus interactions based on xi scaling model of QCD

Extensive air showers (EMC) experiments discovered a significant deviation of the ratio of structure functions of iron and deuteron from unity. It was established that the quark parton distribution in nuclei are different from the corresponding distribution in the nucleus. It was examined whether these results have an effect on the calculation of photo nucleus energy loss term for muon-nucleus nuclear interaction. Though the EMC and SLAC data were restricted to rather large q sq region it is expected that the derivation would persist even in the low q sq domain. For the ratio of iron and deuteron structure function a rather naive least square fit of the form R(x) = a + bx was taken and it is assumed that the formula is valid for the whole q sq region the absence of any knowledge of R(x) for small q sq.

Roychoudhury, R.↗