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At least 883 records · Page 49

Materials Data on Li2N by Materials Project

Li2N is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N2- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.10 Å. N2- is bonded in a body-centered cubic geometry to eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CNO by Materials Project

CNO is Cyanogen Chloride-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four cyanic acid molecules. C4+ is bonded in a linear geometry to one N2- and one O2- atom. The C–N bond length is 1.23 Å. The C–O bond length is 1.19 Å. N2- is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on PN2O4F by Materials Project

NOPNO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four PNO3F clusters. In each PNO3F cluster, P5+ is bonded in a distorted trigonal pyramidal geometry to three O2- and one F1- atom. There is two shorter (1.47 Å) and one longer (2.17 Å) P–O bond length. The P–F bond length is 1.58 Å. N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.19 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one N2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one P5+ atom. F1- is bonded in a single-bond geometry to one P5+ atom.

36 MATERIALS SCIENCE↗

A Pilot-Scale Evaluation of Natural Gas-Based Foam at Elevated Pressure and Temperature Conditions

Abstract Nitrogen (N2) and Carbon Dioxide (CO2) foams have been used as hydraulic fracturing fluids for several decades to reduce water usage and minimize damage in water-sensitive reservoirs. These foam treatments require gases to be liquefied and transported to site. An alternative approach would be to use natural gas (NG) that is readily available from nearby wells, pipelines, and processing facilities as the internal, gaseous phase to create a NG-based foam. Hydraulic fracturing with NG foam is a relatively inexpensive option, makes use of an abundant and often wasted resource, and may even provide production benefits in certain reservoirs. As part of an ongoing development project sponsored by the Department of Energy (DOE), the surface process to create NG foam is being developed and the properties of NG foam are being explored. This paper presents recent results from a rigorous pilot-scale demonstration of NG foam over a range of operating scenarios relevant to surface and bottomhole conditions with a variety of base-fluid mixtures. The Pilot-scale Foam Test Facility (PFTF) used in these investigations is first described. The PFTF is capable of generating foamed fluids at pressures up to 7,500 psig and at temperatures in excess of 300°F. Then, results from several investigations aimed at proving NG foam at conditions relevant to the field are presented. NG foam was characterized using rheology measurements and flow visualization techniques. Experiments were performed to investigate the texture and stability of NG foam generated by two different mixing methods: one using a custom designed tee to match mixing velocities in the field where the gas phase is jetted into the aqueous stream, and another to ensure comprehensive mixing for laboratory analysis. Parametric studies were conducted to explore the effects of flow rate, foam quality, and temperature on the stability of NG foam. Moreover, different fluid preparations were used to investigate the effect of base fluid and additive concentrations on the stability of NG foams. Additional laboratory studies that investigated foam stability with produced water and multicomponent NG mixtures are also reported. The NG foams explored in these investigations exhibited typical, shear-thinning behavior observed in rheological studies of N2- and CO2-based foams. The measured viscosity and observed stability indicate that NG foams are well suited for fracturing applications. Like other foams, NG foam exhibits sensitivity to operating temperature characterized by a decrease in apparent viscosity as temperature increases. Rapid foam breakdown was observed at significantly elevated temperatures exceeding 290°F. In addition to fluid characterization, these investigations also yielded several key lessons that should be applied to future field demonstrations of NG foam.

Beck, Griffin↗

Evaluation report on the Thermo Scientific TruDose (neutron,gamma) EPD3

This report summarizes an evaluation study on the Thermo Scientific TruDose n/γ EPD3 by LANL’s RP-SVS group. Two EPD3s were received for assessment (SNs 7500100 and 7500108) along with an EPD3 desktop reader. The evaluation included intercomparisons with Thermo’s N2 EPD which is in wide circulation at LANL but is no longer commercially available. A favourable assessment of the TruDose EPD3 would help support it as a viable option to replace the N2 EPD. The data and observations included in this report could also serve as the basis of a Technical Basis Document for the use of the EPD3 at LANL.

61 RADIATION PROTECTION AND DOSIMETRY↗

X-ray Multilayers for Next-Generation Astrophysics Missions

In this work, we proposed to demonstrate the feasibility of high-reflectivity multilayer coatings that will enable next-generation astrophysics missions in the x-ray region (2 – 7 nm wavelengths) where currently high-performance coatings largely do not exist. This paucity is due to multilayer interfacial effects that severely reduce the coating reflectance; our approach was based on understanding these interfacial effects and on tailored process modifications to control and minimize them. The experimental validation of our approach was made difficult by our multilayer deposition tool being down for a large portion of the project. The required repairs used significant amount of funding and time, which forced to reduce the scope of the project. Our experimental study focused on Cr/C multilayers and their optimization using N2 reactive sputtering. We showed that the highest reflectance was achieved when depositing the multilayers with 35% N2, and with a larger Cr thickness ratio than what was initially predicted by simulations. This result consists of a 13% relative increase in reflectivity compared to our previous work. It will benefit upcoming NASA proposals and LLNL’s leadership in this area, as well as topics highly relevant to LLNL/DOE’s priority areas, such as x-ray laser science and semiconductor manufacturing. This work will be further investigated as part of a Laboratory Directed Research and Development (LDRD) Exploratory Research (ER) project starting in Fiscal Year (FY) 2024.

36 MATERIALS SCIENCE↗

Multi-Parameter Optical Fiber for Distributed Sensing of Humidity, CH4, CO2, and Corrosion

This work describes the use of the optical fiber sensor (OFS) for successful monitoring of humidity, CH4, and CO2 based on the strain produced along the single-mode fiber (SMF) sensor. This is enabled by absorption of H2O/gases onto the commercially available polyacrylate coated jacketed portion of the fiber resulting in a change in strain. Under equilibrium, a differential microstrain was observed along the jacketed portion of the SMF with N2, CH4, and CO2 at different relative humidity (RH) conditions. The strain response of the SMF under various mixed gas composition and different RH conditions were also measured and made calibration curves accordingly. Linear regression and principal component analysis of the strain datasets provided deconvolution of the impact of strain from H2O, N2, CH4, and CO2. Additionally, modified OFS comprised of the Fe coated fiber section was employed to monitor corrosion based on the increase in backscattered intensity amplitude of the light being passed once corrosion of Fe occurs. Also, corrosion of Fe was studied under soil by installing the fiber in soil with protective measures which would prevent the sensor being mechanically disturbed or broken during installation. The corrosion rates were studied by monitoring the rate at which the intensity of backscattered light amplitude attains a steady state value when complete corrosion of Fe with a specific coating thickness occurs.

Mainali, Badri↗

Ensuring High-Purity Liquid Argon for the LBNF FDC: Collaborative Cryogenics Research Between UNICAMP and Fermilab

Ensuring High-Purity Liquid Argon for the LBNF FDC: Collaborative Cryogenics Research Between UNICAMP and Fermilab R. Doubnik1, M. Adamowski1, F. de M. Blaszczyk1, A. Hahn1, D. Montanari1, R. Mrowca1, Z. West1, C. Adriano2, T. P.M. Alegre2, D. Correia2, A. A. B. Machado2, E. Segreto2, R. G. Gonçalves3, E. M. Assaf6, J. M. Assaf3, D. Cardoso3, M. B. Fontes4, H. Da Motta4, D. Noriler5, P. J. G. Pagliuso2. 1 Fermi National Accelerator Laboratory, PO Box 500, Batavia IL 60510, United States. 2 “Gleb Wataghin” Institute of Physics, UNICAMP, Campinas-SP, 13083-859, Brazil. 3 CPqMAE - Research Center on Advanced Materials and Energy, Federal University of São Carlos (UFSCar), São Carlos, 13565-905, Brazil. 4 The Brazilian Center for Research in Physics (CBPF), Rio de Janeiro-RJ, 22290-180, Brazil. 5 School of Chemical Engineering, UNICAMP, Campinas-SP, 13083-859, Brazil. 6 São Carlos Institute of Chemistry, University of São Paulo, São Carlos-SP, 13566-590, Brazil. Email: rdoubnik@fnal.gov Abstract. The Long-Baseline Neutrino Facility (LBNF) located at the Sanford Underground Research Facility (SURF) in Lead, South Dakota, hosts the Deep Underground Neutrino Experiment (DUNE). This experiment employs cryostats containing nearly 70,000 metric tons of high-purity liquid argon (LAr). Ensuring LAr purity is critical for achieving the required electron lifetime, which directly impacts the experiment’s signal-to-noise ratio. The Horizontal Drift (HD) detector demands an electron lifetime exceeding 3 ms within its 3.5 m drift, equivalent to less than 100 parts-per-trillion (ppt) Oxygen contamination, while the Vertical Drift (VD) detector requires over 6 ms electron lifetime within its 6.0 m drift, corresponding to less than 50 ppt Oxygen contamination. To mitigate Nitrogen (N2) quenching of scintillation light, N2 contamination must remain below 1 ppm, as higher levels can result in up to a 20 % loss of light. The Brazil State University of Campinas (UNICAMP) significantly contributes to LBNF FDC through the development of argon purification and regeneration systems for HD and VD cryostats. UNICAMP designed and constructed the Purification Liquid Argon Cryostat (PuLArC), a small-scale test facility holding approximately 90 liters of LAr. Tests using PuLArC demonstrated that 1.2 kg of Li-FAU zeolite could reduce N₂ contamination from 20-50 ppm to 0.1-1.0 ppm within 1-2 hours. Tests at Fermilab’s Iceberg cryostat (2,596 liters) confirmed scalability, with 3 kg of Li-FAU reducing N₂ contamination from ~5 ppm to <1 ppm over 96 hours cycles without active circulation. This presentation will detail the research methods, test setups, and results, showcasing the potential of Li-FAU as an alternative to Molecular Sieve 4A for large-scale LAr systems. This advancement enhances DUNE's precision and demonstrates the impact of international collaboration on cryogenic research.

Doubnik, Roza [Fermilab]↗

Promise of Graph Sparsification and Decomposition for Noise Reduction in QAOA: Analysis for Trapped-Ion Compilations

We develop new approximate compilation schemes that significantly reduce the expense of compiling the Quantum Approximate Optimization Algorithm (QAOA) for solving the Max-Cut problem. Our main focus is on compilation with trapped-ion simulators using Pauli-X operations and all-to-all Ising Hamiltonian HIsing evolution generated by Molmer-Sorensen or optical dipole force interactions, though some of our results also apply to standard gate-based compilations. Our results are based on principles of graph sparsification and decomposition; the former reduces the number of edges in a graph while maintaining its cut structure, while the latter breaks a weighted graph into a small number of unweighted graphs. Though these techniques have been used as heuristics in various hybrid quantum algorithms, there have been no guarantees on their performance, to the best of our knowledge. This work provides the first provable guarantees using sparsification and decomposition to improve quantum noise resilience and reduce quantum circuit complexity. For quantum hardware that uses edge-by-edge QAOA compilations, sparsification leads to a direct reduction in circuit complexity. For trapped-ion quantum simulators implementing all-to-all HIsing pulses, we show that for a (1−ϵ) factor loss in the Max-Cut approximation (ϵ>0), our compilations improve the (worst-case) number of HIsing pulses from O(n2) to O(nlog(n/ϵ)) and the (worst-case) number of Pauli-X bit flips from O(n2) to O(nlog(n/ϵ)ϵ2) for n-node graphs. This is an asymptotic improvement for any constant ϵ>0. We demonstrate that significant improvements to the approximation ratio are obtained using decomposition in simulated trapped-ion experiments with dephasing noise. We further present a generic argument showing that sparsification results in an exponentially improved circuit fidelity lower bound in digital computing schemes based on one- and two-qubit gates, which are relevant to a wide variety of hardwares such as superconducting qubits and certain neutral atom or trapped ion setups, and more sophisticated noise models. We anticipate these approximate compilation techniques will be useful tools in a variety of future quantum computing experiments.

Moondra, Jai [Georgia Institute of Technology]↗

Low-Temperature Plasma Assisted Kinetics Study of Ethanol

Non-equilibrium plasma assisted kinetics of ethanol at 0.5 atm over a temperature range of 523-1203 K were studied at stoichiometric conditions by using a plasma flow reactor (PFR). The effects of plasma chemistry on fuel and its influence on neutral chemistry is decoupled with both experimental and modelling efforts. Enhanced reactivity was observed experimentally in both plasma-assisted oxidation and pyrolysis cases with fuel consumption beginning at temperatures as low as 523 K. Absolute fuel consumption was observed at temperatures nearly 200 K earlier than pure thermal reactions highlighting the effectiveness of non-equilibrium plasma to promote reactivity. Furthermore, modelling results illustrated the effect of electron impact reactions towards accelerating fuel consumption and promoting low temperature chemistry by generating excited state N2 and reactive O and OH radicals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

1D Simulation of Avalanche to Streamer to Spark Transition of Plasma Discharge in Ammonia-Air Combustion

The backward problem of plasma assisted combustion emphasizes evaluating the effect of the evolving thermochemical state on the plasma discharge. This paper investigates the dependence of avalanche to streamer to spark formation dynamics and kinetics on the gas composition and temperature at different points in an ammonia-air premixed laminar flame using a self-consistent multigrid-based 1D plasma solver. Different values of ..alpha.., the coefficient for effective ionization events per unit length, have been reported for electron avalanches in air and stoichiometric NH3-air mixtures. The streamer inception has been shown to obey the Meek's criterion. An exponential reduction in streamer and spark formation time has been observed from plasma simulations at different points in the unburnt, pre-heat zone, reaction zone and the fully burnt regions of the premixed flame. While the enhancement of the reduced electric field with increasing temperature affects effective ionization, there exists a minimum breakdown field for streamer formation, which does not vary proportionally with the changing number density of the gas. The change in the mixture from reactants (NH3, O2, N2) to products of complete combustion of ammonia in air (N2, H2O) has also been shown to affect the streamer and spark formation. Finally, the major pathways during the streamer and spark phases which are responsible for producing important radicals used in combustion of NH3 are also discussed.

ADVANCED PROPULSION SYSTEMS,INORGANIC, ORGANIC, PH↗

SPRUCE Sphagnum Phytobiome Responses to Whole Ecosystem Warming and Elevated Atmospheric CO2 in July, 2017-2021

This dataset reports the carbon (C) and nitrogen (N) isotopic composition of Sphagnum moss tissue collected from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental site within the Marcell Experimental Forest in northern Minnesota, USA. Tissues were collected inside the SPRUCE experimental study plot, where air and peat warming are combined in whole-ecosystem warming treatments, from 2019-2021. Additionally, rates of nitrogen fixation and methane oxidation measured for Sphagnum from 2017, 2019, and 2021. Sphagnum tissue % water content was measured at all timepoints. This dataset was used to conduct analyses within Petro et al (2023). Sphagnum C and N concentrations and 13C and 15N isotopic natural abundance were determined for three replicate Sphagnum tissue samples collected from inside the SPRUCE enclosures in July 2019-2021. Elemental and isotope analyses were conducted at the University of Georgia – Center for Applied Isotope Studies (CAIS; https://cais.uga.edu/). Plant elemental analysis was performed by the micro-Dumas method, while isotopic natural abundance was measured by isotope ratio mass spectrometry. 13C natural abundance is expressed as the per mille (‰) deviation from the Pee Dee Belemnite standard (PDB) 13C:12C ratio (δ13C), while 15N natural abundance is expressed as the ‰ deviation from the N2 atmospheric 15N:14N ratio (δ15N). Rates of nitrogen fixation and methane oxidation were measured using serum bottle incubations performed with Sphagnum collected inside the SPRUCE enclosures in July 2017, 2019, and 2021. Rates were calculated according to the amount of 15N-N2 or 13C-CH4 (methane) incorporated into the Sphagnum tissue or incubation headspace over the 48-hour intion period. In 2017, incubations were performed in growth chambers set to the temperature of the experimental plots during Sphagnum sampling. In 2019 and 2021, the incubations were performed directly inside the experimental plots. The 13C and 15N isotopic natural abundance data and rate measurements presented in this dataset provide insight into the impacts of whole-ecosystem warming and elevated atmospheric carbon dioxide (CO2) on N and C cycling within the Sphagnum phytobiome. This dataset contains two data files in comma-separate values (*.csv) format. Additional metadata are provided: two data dictionaries and a file-level metadata file in comma-separate values (.csv) format and a user guide in PDF (*.pdf) format. Additional datasets on NH4-N availability, porewater concentrations of CH4 and CO2, and Sphagnum groundcover within the SPRUCE experimental plots are available. These are outlined in the Related Datasets section in the user guide.

delta 13 carbon↗

An A- and B-Site Substitutional Study of SrFeO3−δ Perovskites for Solar Thermochemical Air Separation

An A‑ and B‑site substitutional study of SrFeO3−δ perovskites (A’xA1−xB’yB1−yO3−δ, where A = Sr and B = Fe) was performed for a two‑step solar thermochemical air separation cycle. The cycle steps encompass (1) the thermal reduction of A’xSr1−xB’yFe1−yO3−δ driven by concentrated solar irradiation and (2) the oxidation of A’xSr1−xB’yFe1−yO3−δ in air to remove O2, leaving N2. The oxidized A’xSr1−xB’yFe1−yO3−δ is recycled back to the first step to complete the cycle, resulting in the separation of N2 from air and concentrated solar irradiation. A-site substitution fractions between 0 ≤ x ≤ 0.2 were examined for A’ = Ba, Ca, and La. B-site substitution fractions between 0 ≤ y ≤ 0.2 were examined for B’ = Cr, Cu, Co, and Mn. Samples were prepared with a modified Pechini method and characterized with X-ray diffractometry. The mass changes and deviations from stoichiometry were evaluated with thermogravimetry in three screenings with temperature- and O2 pressure-swings between 573 and 1473 K and 20% O2/Ar and 100% Ar at 1 bar, respectively. A’ = Ba or La and B’ = Co resulted in the most improved redox capacities amongst temperature- and O2 pressure-swing experiments.

14 SOLAR ENERGY↗

Azospirillum brasilense Bacteria Promotes Mn2+ Uptake in Maize with Benefits to Leaf Photosynthesis

Azospirillum brasilense is a prolific grass-root colonizing bacteria well-known for its ability to promote plant growth in several cereal crops. Here we show that one of the mechanisms of action in boosting plant performance is through increased assimilation of the micronutrient manganese by the host. Using radioactive 52Mn2+ (t½ 5.59 d), we examined the uptake kinetics of this micronutrient in young maize plants, comparing the performance of three functional mutants of A. brasilense, including HM053, a high auxin-producing and high N2-fixing strain; ipdC, a strain with a reduced auxin biosynthesis capacity; and FP10, a strain deficient in N2-fixation that still produces auxin. HM053 had the greatest effect on host 52Mn2+ uptake, with a significant increase seen in shoot radioactivity relative to non-inoculated controls. LA-ICP-MS analysis of root sections revealed higher manganese distributions in the endodermis of HM053-inoculated plants and overall higher manganese concentrations in leaves. Finally, increased leaf manganese concentration stimulated photosynthesis as determined by measuring leaf fixation of radioactive 11CO2 with commensurate increases in chlorophyll concentration.

59 BASIC BIOLOGICAL SCIENCES↗

Gain and power of CO2 gasdynamic lasers.

This paper presents experimental and theoretical studies of the small signal gain and the radiant power for one configuration of CO2 gasdynamic lasers to define the optimum-gas temperature, pressure and gas compositions for the gain and the laser power. The laser was operated with two gas mixtures (CO2-N2-He and CO2-N2-H2O) at temperatures of 800-2200 deg K, pressures of 2-16 atm, and a wide range of gas compositions. For this laser optimum gas temperatures were roughly 1500-1600 deg K for gain and more than 2200 deg K for power. It was found that the gasdynamic laser would not oscillate for He or H2O concentrations of less than 10% and 1%, respectively. The various kinetic processes for establishing gain and the various laser cavity parameters that determine laser power were examined. The theories were assessed for their ability to predict gain and power. In most cases, the gain theory gave excellent quantitative results whereas the power theory gave only qualitative results. Laser power of nearly 2 kw was obtained.

Lee, G.↗

Foreign-gas broadening of nitrous oxide absorption lines.

We have measured the foreign-gas broadening coefficients for collisional broadening of lines in the nu-3 fundamental of N2O by He, Ne, Ar, Kr, Xe, H2, D2, and CH4. These coefficients, which give the ratio of the line-broadening ability of these gases to the line-broadening ability of N2, can be used with recent measurements and calculations of N2 broadening to obtain optical collision cross sections.

Tubbs, L. D.↗

Magnetic storm characteristics of the thermosphere

Energy and diffusive mass transport associated with the thermospheric circulation are considered in a self-consistent, though mathematically relatively simple form to describe in a three-dimensional two-constituent model magnetic storm characteristics in composition (N2, O, and He), temperature and mass-density. It is shown that during disturbed conditions the latitudinal variations of composition and gas temperature T sub g reflect the local nature of the magnetic storm heat input assumed to be primarily confined to the auroral zones. Thereby T sub g and N2 increase, He decreases and O remains constant through the auroral zones at exospheric heights (due to the superposition of temperature and diffusion effects) in agreement with OGO-6 mass spectrometer measurements. In contrast, the magnetic storm response in the total mass density is characterized by a strong world-wide component and a relatively insignificant increase toward the poles with the density peak occurring between two (poles) and eight (equator) hours after the maximum energy input, in substantial agreement with satellite drag data.

Mayr, H. G.↗

Evaluation of an electrochemical N2/H2 gas separator

A program was successfully completed to evaluate an electrochemical nitrogen/hydrogen (N2/H2) separator for use in a spacecraft nitrogen (N2) generator. Based on the technical data obtained a N2/H2 separator subsystem consisting of an organic polymer gas permeator first stage and an electrochemical second and third stage was estimated to have the lowest total spared equivalent weight, 257 kg (566 lb), for a 15 lb/day N2 generation rate. A pre-design analysis of the electrochemical N2/H2 separator revealed that its use as a first stage resulted in too high a power requirement to be competitive with the organic polymer membrane and the palladium-silver membrane separation methods. As a result, program emphasis was placed on evaluating the electrochemical. A parametric test program characterized cell performance and established second- and third-stage electrochemical N2/H2 separator operating conditions. A design verification test was completed on the second and third stages. The second stage was then successfully endurance tested for 200 hours.

Marshall, R. D.↗