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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.↗

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.↗

Low resistivity contact to iron-pnictide superconductors

Method of making a low resistivity electrical connection between an electrical conductor and an iron pnictide superconductor involves connecting the electrical conductor and superconductor using a tin or tin-based material therebetween, such as using a tin or tin-based solder. The superconductor can be based on doped AFe.sub.2As.sub.2, where A can be Ca, Sr, Ba, Eu or combinations thereof for purposes of illustration only.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

High-Field Nb3Sn Cos-theta Dipole with Stress Management

Cost-effective superconducting dipole magnets with operating fields up to 16 T are being considered for the LHC en-ergy upgrade (HE-LHC) and a Future Circular Collider (FCC). To demonstrate feasibility of 15 T accelerator quality dipole mag-nets, FNAL as a part of the US-MDP is developing a single-aper-ture Nb3Sn dipole demonstrator based on a 4-layer graded cos-theta coil with 60 mm aperture and cold iron yoke. In parallel, to explore the limit of the Nb3Sn accelerator magnet technology, op-timize magnet design and performance parameters, and reduce magnet cost, magnet design studies are also being performed to push the nominal bore field to 16 T in a 60-mm aperture cos-theta dipole. Results of these studies are reported and discussed in this paper.

43 PARTICLE ACCELERATORS↗

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↗

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↗

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.↗

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.↗

Probing the Cys-Tyr Cofactor Biogenesis in Cysteine Dioxygenase by the Genetic Incorporation of Fluorotyrosine

Cysteine dioxygenase (CDO) is a nonheme iron enzyme that adds two oxygen atoms from dioxygen to the sulfur atom of L -cysteine. Adjacent to the iron site of mammalian CDO, there is a post-translationally generated Cys-Tyr cofactor, whose presence substantially enhances the oxygenase activity. The formation of the Cys-Tyr cofactor in CDO is an autocatalytic process, and it is challenging to study by traditional techniques because the cross-linking reaction is a side, uncoupled, single-turnover oxidation buried among multiple turnovers of L -cysteine oxygenation. Here, we take advantage of our recent success in obtaining a purely uncross-linked human CDO due to site-specific incorporation of 3,5-difluoro- L -tyrosine (F 2 -Tyr) at the cross-linking site through the genetic code expansion strategy. Using EPR spectroscopy, we show that nitric oxide ( • NO), an oxygen surrogate, similarly binds to uncross-linked F 2 -Tyr157 CDO as in wild-type human CDO. Additionally, we determined X-ray crystal structures of uncross-linked F 2 -Tyr157 CDO and mature wild-type CDO in complex with both L -cysteine and • NO. These structural data reveal that the active site cysteine (Cys93 in the human enzyme), rather than the generally expected tyrosine (i.e., Tyr157), is well-aligned to be oxidized should the normal oxidation reaction uncouple. This structure-based understanding is further supported by a computational study with models built on the uncross-linked ternary complex structure. Together, these results strongly suggest that the first target to oxidize during the iron-assisted Cys-Tyr cofactor biogenesis is Cys93. Based on these data, a plausible reaction mechanism implementing a cysteine radical involved in the cross-link formation is proposed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Creep resistant Ni-based superalloy casting and method of manufacture for advanced high-temperature applications

One or more embodiments relates to a method of casting a creep-resistant Ni-based superalloy and a homogenization heat treatment for the alloy. The method includes forming a feed stock having Nickel (Ni) and at least one of Chromium (Cr), Cobalt (Co), Aluminum (Al), Titanium (Ti), Niobium (Nb), Iron (Fe), Carbon (C), Manganese (Mn), Molybdenum (Mo), Silicon (Si), Copper (Cu), Phosphorus (P), Sulfur (S) and Boron (B). The method further includes fabricating the creep-resistant Ni-based superalloy in a predetermined shape using the feed stock and at least one process such as vacuum induction melting (VIM), electroslag remelting (ESR) and/or vacuum arc remelting (VAR).

Jablonski, Paul D.↗

Effects of electronic excitation on cascade dynamics in nickel–iron and nickel–palladium systems

Using molecular dynamics simulations and the two-temperature model, we provide in this paper a comparison of the surviving damage from single ion irradiation events in nickel-based alloys, for cascades with and without taking into account the effects of the electronic excitations. We find that including the electronic effects impacts the amount of the resulting damage and the production of isolated defects. Finally, irradiation of nickel–palladium systems results in larger numbers of defects compared to nickel–iron systems, with similar numbers of isolated defects. We additionally investigate the mass effect on the two-temperature model in molecular dynamics simulations of cascades.

36 MATERIALS SCIENCE↗

Single-Walled Carbon Nanotubes with Confined Chalcogens as the Catalysts and Electrodes for Oxygen Reduction Reaction in Fuel Cells

The goal of this project is to synthesize and characterize a new non-metal electro-catalyst for oxygen reduction reaction (ORR) for fuel cell applications. The intended catalyst is a composite material composed of sulfur chains encapsulated in narrow diameter single-walled carbon nanotubes (S@SWNTs). S@SWNTs were successfully synthesized through sulfur vapor infusion method, and validated with Raman spectroscopy. However, the electrochemical analysis on the ORR catalytic activity of S@SWNTs indicated that it had low ORR catalytic activity. Our theoretical study based on density functional theory (DFT) revealed that the poor oxygen adsorption (low binding energy) on the surface of S@SWNTs was the bottleneck of the entire catalytic reaction. The focus of the project was subsequently pivoted to the development of a new non-noble metal ORR catalyst that could provide durability in acidic electrolyte. The hypothesis was to encapsulate small iron (Fe) clusters in SWNTs (Fe@SWNTs) can provide ORR electro-catalytic activity and long durability in acidic environment. DFT-based computational studies were carried out to explore the feasibility of the Fe@SWNTs catalyst. The theoretical study indicated that Fe@SWNTs indeed could catalyze the ORR with lower theoretical overpotential than platinum (Pt). However, its weaker bonding energy with oxygen was the bottleneck of the overall reaction. On the other hand, Fe clusters (composed of 7 Fe atoms) encapsulated in nitrogen-doped SWNTs (Fe 7 @N 4 WSNTs) showed proper oxygen adsorption by the Fe cluster and low theoretical overpotential of ORR. Comparing to the Fe single atom catalyst on N-doped SWNTs (Fe-N 4 SWNTs), which is one the best non-noble metal ORR catalysts reported in the literature, the Fe 7 @N 4 WSNTs showed lower overpotential and better resistance to acidic environment. Fe encapsulated N-doped SWNTs were synthesized with ferrocene as the Fe precursors through vapor infusion method, and experimental validate is underway. This study theoretically demonstrated the feasibility of a new type of non-noble metal electro-catalyst for ORR that could have high catalytic activity and long durability.

08 HYDROGEN↗

Design of B2PF: A Large Aperture Nb-Ti Dipole Magnet for the Electron-Ion Collider

Here, we present the initial design of the matching dipole B2PF, a large aperture cosine-theta magnet for the Electron-Ion Collider (EIC). First we share an optimized 2D magnet cross-section based on a double-layer design with Nb-Ti Rutherford cable. This cross-section is optimized to meet the required field quality in the 120 mm coil aperture both at the nominal operating current and considering iron saturation effects during the ramp. Next, we share a first design of the 3D coil ends optimized for windability, field quality, and minimizing the conductor peak field. Based on the resulting peak field, we evaluate the short-sample margin of the design for an operating target of 6.3 T dipole field at 1.9 K. Finally, we share an initial mechanical design study which utilizes a key-and-bladder support structure capable of adjusting magnet preload.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

New Constraints on the Melting Temperature and Phase Stability of Shocked Iron up to 270 GPa Probed by Ultrafast X-Ray Absorption Spectroscopy

Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth’s inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues. Here, we present a study on shock compressed iron up to 270 GPa and 5800 K probed by single-pulse (100 ps FWHM) x-ray absorption spectroscopy (XAS). Based on the analysis of the XAS spectra, we provide structural identification and bulk temperature measurements along the Hugoniot up to the melting. These results rule out the predicted transition to a high-temperature bcc phase and allow one to discriminate among existing equations of state models and melting curves. In particular, we report the first bulk temperature measurement in shock compressed iron on the melting plateau at 240(20) GPa and 5345(600) K. The melting curve resulting from our work extrapolates to a temperature of 6202(514) K at 330 GPa and represents a refined upper bound for the ICB temperature. Published by the American Physical Society 2024

Balugani, S.↗

p53 deficiency alters the yield and spectrum of radiation-induced lacZ mutants in the brain of transgenic mice

Exposure to heavy particle radiation in the galacto-cosmic environment poses a significant risk in space exploration and the evaluation of radiation-induced genetic damage in tissues, especially in the central nervous system, is an important consideration in long-term manned space missions. We used a plasmid-based transgenic mouse model system, with the pUR288 lacZ transgene integrated in the genome of every cell of C57Bl/6(lacZ) mice, to evaluate the genetic damage induced by iron particle radiation. In order to examine the importance of genetic background on the radiation sensitivity of individuals, we cross-bred p53 wild-type lacZ transgenic mice with p53 nullizygous mice, producing lacZ transgenic mice that were either hemizygous or nullizygous for the p53 tumor suppressor gene. Animals were exposed to an acute dose of 1 Gy of iron particles and the lacZ mutation frequency (MF) in the brain was measured at time intervals from 1 to 16 weeks post-irradiation. Our results suggest that iron particles induced an increase in lacZ MF (2.4-fold increase in p53+/+ mice, 1.3-fold increase in p53+/- mice and 2.1-fold increase in p53-/- mice) and that this induction is both temporally regulated and p53 genotype dependent. Characterization of mutants based on their restriction patterns showed that the majority of the mutants arising spontaneously are derived from point mutations or small deletions in all three genotypes. Radiation induced alterations in the spectrum of deletion mutants and reorganization of the genome, as evidenced by the selection of mutants containing mouse genomic DNA. These observations are unique in that mutations in brain tissue after particle radiation exposure have never before been reported owing to technical limitations in most other mutation assays.

Non-NASA Center↗

Mid-infrared transmission spectra of crystalline and nanophase iron oxides/oxyhydroxides and implications for remote sensing of Mars

Ferric-iron-bearing materials play an important role in the interpretation of visible to near-IR Mars spectra, and they may play a similarly important role in the analysis of new mid-IR spacecraft spectral observations to be obtained over the next decade. We review exisiting data on mid-IR transmission spectra of ferric oxides/oxyhydroxides and present new transmission spectra for ferric-bearing materials spanning a wide range of mineralogy and crystallinity. These materials include 11 samples of well-crystallized ferric oxides (hematite, maghemite, and magnetite) and ferric oxyhydroxides (goethite, lepidocrocite). We also report the first transmission spectra for purely nanophase ferric oxide samples that have been shown to exhibit spectral similarities to Mars in the visible to near-IR and we compare these data to previous and new transmission spectra of terrestial palagonites. Most of these samples show numerous, diagnostic absorption features in the mid-IR due to Fe(3+) - 0(2-) vibrational transitions, structural and/or bound OH, and/or silicates. These data indicate that high spatial resolution, moderate spectral resolution mid-IR ground-based and spacecraft observations of Mars may be able to detect and uniquely discriminate among different ferric-iron-bearing phases on the Martian surface or in the airborne dust.

Bell, James F., III↗

Mid-infrared transmission spectra of crystalline and nanophase iron oxides/oxyhydroxides and implications for remote sensing of Mars

Ferric-iron-bearing materials play an important role in the interpretation of visible to near-IR Mars spectra, and they may play a similarly important role in the analysis of new mid-IR spacecraft spectral observations to be obtained over the next decade. We review existing data on mid-IR transmission spectra of ferric oxides/oxyhydroxides and present new transmission spectra for ferric-bearing materials spanning a wide range of mineralogy and crystallinity. These materials include 11 samples of well-crystallized ferric oxides (hematite, maghemite, and magnetite) and ferric oxyhydroxides (goethite, lepidocrocite). We also report the first transmission spectra for purely nanophase ferric oxide samples that have been shown to exhibit spectral similarities to Mars in the visible to near-IR and we compare these data to previous and new transmission spectra of terrestrial palagonites. Most of these samples show numerous, diagnostic absorption features in the mid-IR due to Fe(3+)-O(2-) vibrational transitions, structural and/or bound OH, and/or silicates. These data indicate that high spatial resolution, moderate spectral resolution mid-IR ground-based and spacecraft observations of Mars may be able to detect and uniquely discriminate among different ferric-iron-bearing phases on the Martian surface or in the airborne dust.

Bell, James F., III↗

Enhanced HLW glass formulations for the waste treatment and immobilization plant

Current estimates and glass formulation efforts are conservative vis-a-vis achievable waste loadings. These formulations have been specified to ensure that glasses are homogenous, contain essentially no crystalline phases, are processable in joule-heated, ceramic-lined melters and meet WTP Contract terms. The WTP's overall mission will require the immobilization of tank waste compositions that are dominated by mixtures of aluminum, chromium, bismuth, iron, phosphorous, zirconium, and sulfur compounds as waste-limiting components. Glass compositions for these waste mixtures have been developed based upon previous experience and current glass property models. DOE has a testing program to develop and characterize HLW glasses with higher waste loadings. This work has demonstrated the feasibility of increases in waste loading from 25 wt% to 33-50 wt% (based on oxide loading) in the glass depending on the waste stream. It is expected these higher waste loading glasses will reduce the HLW canister production requirement by 25% or more. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

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