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At least 37 records · Page 2

Materials Data on PW by Materials Project

WP is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W3+ is bonded to six equivalent P3- atoms to form a mixture of distorted edge, corner, and face-sharing WP6 pentagonal pyramids. There are a spread of W–P bond distances ranging from 2.48–2.56 Å. P3- is bonded in a 6-coordinate geometry to six equivalent W3+ atoms.

36 MATERIALS SCIENCE↗

A new platform for ultra-high dose rate radiobiological research using the BELLA PW laser proton beamline

Abstract Radiotherapy is the current standard of care for more than 50% of all cancer patients. Improvements in radiotherapy (RT) technology have increased tumor targeting and normal tissue sparing. Radiations at ultra-high dose rates required for FLASH-RT effects have sparked interest in potentially providing additional differential therapeutic benefits. We present a new experimental platform that is the first one to deliver petawatt laser-driven proton pulses of 2 MeV energy at 0.2 Hz repetition rate by means of a compact, tunable active plasma lens beamline to biological samples. Cell monolayers grown over a 10 mm diameter field were exposed to clinically relevant proton doses ranging from 7 to 35 Gy at ultra-high instantaneous dose rates of 10 7 Gy/s. Dose-dependent cell survival measurements of human normal and tumor cells exposed to LD protons showed significantly higher cell survival of normal-cells compared to tumor-cells for total doses of 7 Gy and higher, which was not observed to the same extent for X-ray reference irradiations at clinical dose rates. These findings provide preliminary evidence that compact LD proton sources enable a new and promising platform for investigating the physical, chemical and biological mechanisms underlying the FLASH effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Laser–solid interaction studies enabled by the new capabilities of the iP2 BELLA PW beamline

The new capabilities of the short focal length, high intensity beamline, named iP2, at the BELLA Center will extend the reach of research in high energy density science, including accessing new regimes of high gradient ion acceleration and their applications. This 1 Hz system will provide an on-target peak intensity beyond 1021 W/cm2 with a temporal contrast ratio of <10−14 that will be enabled by the addition of an on-demand double plasma mirror setup. An overview of the beamline design and the main available diagnostics are presented in this paper as well as a selection of accessible research areas. As a demonstration of the iP2 beamline's capabilities, we present 3D particle-in-cell simulations of ion acceleration in the magnetic vortex acceleration regime. The simulations were performed with pure hydrogen targets and multi-species targets. Proton beams with energy up to 125 MeV and an approximately 12° full angle emission are observed as preplasma scale length and target tilt are varied. The number of accelerated protons is on the order of 109/MeV/sr for energies above 60 MeV.

Hakimi, Sahel (ORCID:000000022493564X)↗

Toward machine-learning-assisted PW-class high-repetition-rate experiments with solid targets

We present progress in utilizing a machine learning (ML) assisted optimization framework to study the trends in a parameter space defined by spectrally shaped, high-intensity, petawatt-class (8 J, 45 fs) laser pulses interacting with solid targets and give the first simulation-based overview of predicted trends. A neural network (NN) incorporating uncertainty quantification is trained to predict the number of hot electrons generated by the laser–target interaction as a function of pulse shaping parameters. The predictions of this NN serve as the basis function for a Bayesian optimization framework to navigate this space. For post-experimental evaluation, we compare two separate neural network (NN) models. One is based solely on data from experiments, and the other is trained only on ensemble particle-in-cell simulations. Reviewing the predicted and observed trends across the experiment-capable laser parameter search space, we find that both ML models predict a maximal increase in hot electron generation at a level of approximately 12%–18%; however, no statistically significant enhancement was observed in experiments. On direct comparison of the NN models, the average discrepancy is 8.5%, with a maximum of 30%. Since shot-to-shot fluctuations in experiments affect the observations, we evaluate the behavior of our optimization framework by performing virtual experiments that vary the number of repeated observations and the noise levels. Here, we discuss the implications of such a framework for future autonomous exploration platforms in high-repetition-rate experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Demonstration of improvement of energy conversion rate from kJ PW laser to protons with electron confinement

Kilojoule-class relativistic intensity lasers can produce energetic protons with high energy conversion efficiencies in the interaction with a thin foil target. Using the national ignition facility advanced radiographic capability (NIF-ARC) laser, we demonstrated an enhancement of energy conversion from laser to protons by the effective confinement of fast electrons in the laser spot by random kicks from the self-excited field. The number of fast electrons was increased by 4.6 times by increasing the ratio of the laser spot size to the foil thickness to strengthen the confinement effect. The energy conversion efficiency from laser to protons increases approximately linearly with the enhancement of the number of fast electrons. The conversion rate for protons with energies above 8 MeV was 1.8 %. The result leads to high efficiency proton acceleration which is beneficial in applications, such as proton radiography and plasma heating in laser fusion.

Physics↗

Development and verification of real-time, hybrid computer simulation of F100-PW-100(3) turbofan engine

A real time, hybrid computer simulation of a turbofan engine is described. Controls research programs involving that engine are supported by the simulation. The real time simulation is shown to match the steady state and transient performance of the engine over a wide range of flight conditions and power settings. The simulation equations, FORTRAN listing, and analog patching diagrams are included.

Szuch, J. R.↗

The effects of compressor seventh-stage bleed air extraction on performance of the F100-PW-220 afterburning turbofan engine

A study was conducted to determine the effects of seventh-stage compressor bleed on the performance of the F100 afterburning turbofan engine. The effects of bleed on thrust, specific fuel consumption, fan turbine inlet temperature, bleed total pressure, and bleed total temperature were obtained from the engine manufacturer's status deck computer simulation. These effects were determined for power settings of intermediate, partial afterburning, and maximum afterburning for Mach numbers between 0.6 and 2.2 and for altitudes of 30,000, 40,000, and 50,000 ft. It was found that thrust loss and specific fuel consumption increase were approximately linear functions of bleed flow and, based on a percent-thrust change basis, were approximately independent of power setting.

Evans, Alison B.↗

The Pressure Distribution over the Wings and Tail Surfaces of a PW-9 Pursuit Airplane in Flight

This report presents the results of an investigation to determine (1) the magnitude and distribution of aerodynamic loads over the wings and tail surfaces of a pursuit-type airplane in the maneuvers likely to impose critical loads on the various subassemblies of the airplane structure. (2) To study the phenomenon of center of pressure movement and normal force coefficient variation in accelerated flight, and (3) to measure the normal accelerations at the center of gravity, wing-tip, and tail, in order to determine the nature of the inertia forces acting simultaneously with the critical aerodynamic loads. The results obtained throw light on a number of important questions involving structural design. Some of the more interesting results are discussed in some detail, but in general the report is for the purpose of making this collection of airplane-load data obtained in flight available to those interested in airplane structures.

Rhode, Richard↗

THE POTENTIAL FOR REUSE OF PRODUCED WATER IN THE CRITICAL MINERALS SUPPLY CHAIN IN THE POWDER RIVER BASIN OF WYOMING AND MONTANA

The Powder River Basin (PRB) Carbon Ore, Rare Earth, and Critical Minerals (CORE-CM) project is part of the Department of Energy sponsored CORE-CM initiative focused on domestic production of critical minerals and promoting economic development in traditionally fossil fuel producing basins. An important part of this project is regional assessment of waste streams and development of basinal strategies for waste stream reuse within the critical minerals (CM) supply chain. The availability of water for all parts of the CM supply chain is of particular concern in the arid mountain west. In the Wyoming PRB, average annual production of produced water (PW) by the oil and gas industry is more than 16 billion gallons (2015-2022). Through published data and engagement with industry partners, we conducted a preliminary investigation of PW in the PRB to understand volumes, quality, and the potential for use in the CM supply chain. PW was assessed for potential as a direct feedstock and for use in CM processing of a variety of conventional and unconventional feedstocks, including ore from the Bear Lodge Alkaline Complex, coal, and coal byproducts. Preliminary findings suggest that PRB PW contains significantly lower concentrations of rare earth elements (REE) and lithium than would be considered economic at this time. For example, concentrations of REE+Sc measured in PRB PW are <1 ppb (DE-EE0007603), and only seven PRB PW samples reported in the USGS PW database had lithium concentrations ≥50 ppm. However, enrichment of CM in residual brine and sludge from PW evaporation and solidification treatment ponds may yield concentrations of interest over a pond lifetime and should be considered in future studies. Coal bed methane (CBM) PW accounted for 42% of all PW in the Wyoming PRB in 2022. Compared to non-CBM PW, PRB CBM water quality generally meets standards allowing surface discharge and reuse in local industries such as livestock. CBM PW may help to fill water needs within the CM supply chain. Understanding the distribution of CBM PW that is discharged versus reused will help develop basinal reuse strategies.

Jackson, Lily↗

Resource Recovery and Environmental Protection in Wyoming’s Greater Green River Basin Using Selective Nanostructured Membranes (Final Report)

Produced water (PW) represents a sizable waste stream that is co-generated with oil and natural gas production. In 2021 Wyoming ranked 8th and 9th, respectively in domestic oil and natural gas production. In 2017 Wyoming ranked as the 4th highest generator of PW in the U.S, accounting for 7% of the total volume generated. In the context of being the 3rd most arid state in the U.S., the value of water reuse becomes obvious. PW reuse, and resource recovery, in any form requires some level of treatment to remove particulates, residual (free, dispersed) hydrocarbons, organics, and salts. The level of treatment depends on the requirements of the reuse, or resource recovery, application. PW management systems in Wyoming employ in order of volume of PW managed the following management strategies: reinjection for enhanced oil recovery, surface discharge, deep well injection, evaporation ponds (impoundments), and commercial management/treatment. Complicating treatment efforts are the relatively high concentrations of organics (natural and synthetic), dispersed/free hydrocarbons, benzene-toluene-ethylbenzene, and xylenes (BTEX) compounds, biologicals, salts, and minerals. Hydrocarbons (dispersed/dissolved crude oils) and BTEX compounds, as well as synthetic organics, present economic and environmental concerns. The former represents lost revenue, while the latter results in negative environmental impacts like emissions from surface impoundments. The overall objective of this proposal was to synthesize superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes for selectively concentrating and then separating BTEX compounds and oil and grease (O&G) from PW originating from the Greater Green River Basin (GGRB) in Wyoming. Three specific research aims were pursued to accomplish this overall objective. This final report details the development of the superhydrophobic and superhydrophilic membranes, as well as the design of the membrane module prototypes specifically. The technoeconomic assessment is separately reported in another document. 1. Aim #1 – Material optimization and performance evaluation of superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes made by electrospinning/spraying. 2. Aim #2 – Design and construction of cross-flow membrane modules for selectively concentrating and then separating BTEX/oil from GGRB produced water. 3. Aim #3 – Techno-economic assessment of BTEX/oil recovery, and clean water production, using superhydrophilic/oleophobic and superhydrophobic/oleophilic membrane separation for GGRB PW. Superhydrophobic membranes were synthesized by electrospinning poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) nanofibers onto polyester (PET) substrates and electrospraying nano-carbon black/PVDF-HFP onto the nanofibrous layer. These membranes were characterized by high (>8000 liters per square meter per hour per bar (LMH/bar)) permeance values for pure hydrocarbon phases and a high hydrocarbon selectivity (>96%) when treating GGRB PW. All results were obtained when operating the membrane in a crossflow configuration representative of actual field operating conditions. Solvent/oil properties, specifically viscosity and total surface energy/tension, affected permeance across the membrane, which resulted in light mineral oil (394 LMH/bar) and o-xylene (1834 LMH/bar) being characterized by lower permeance values in the pure phase tests. Mixed phase fluxes between 40 to 80 LMH were obtained for the PW when operating the membrane at a feed pressure of 0.3 bar. Flux decreased as the mixed phase concentration in the feed decreased pointing to the importance of maximizing the collision efficiency between the emulsion and the membrane surface and maximizing the emulsion concentration in the feed and the turbulence within the feed channel. These tests demonstrated that the superhydrophobic membranes developed here are a viable hydrocarbon recovery method for GGRB PWs and should be pursued for testing in pilot-scale trials. Superhydrophilic membranes were successfully synthesized via electrospinning/spraying using polyacrylonitrile (PAN) nanofibers as a base nanofibrous matrix. Integration of polyaniline (PANI) into the nanofibrous matrix produced a superior membrane, for water filtration applications, relative to PAN alone and reduced graphene oxide (RGO) when integrated into the nanofibrous matrix. This conclusion was based on the PANI-PAN resistance to flux loss (fouling) when treating model solvent/oil solutions representative of GGRB PWs and field collected PW from the GGRB. The synthesized PAN membranes outperformed a commercially available PAN membrane designed for oil/water separation. This finding indicates that the surface chemical and physical characteristics of the electrospun membranes presents improved properties for filtration of challenging waters like GGRB PWs. The electrospun membranes therefore show promise overall as a substitute for conventionally polymerized membranes in PW treatment applications. The PANI-PAN membrane specifically presents superior performance characteristics for concentration O&G prior to treatment by the hydrocarbon recovery membrane and producing high-quality filtrate for reuse and/or additional treatment (desalination).

02 PETROLEUM↗

Global Positioning System (GPS) Precipitable Water in Forecasting Lightning at Spaceport Canaveral

This paper evaluates the use of precipitable water (PW) from Global Positioning System (GPS) in lightning prediction. Additional independent verification of an earlier model is performed. This earlier model used binary logistic regression with the following four predictor variables optimally selected from a candidate list of 23 candidate predictors: the current precipitable water value for a given time of the day, the change in GPS-PW over the past 9 hours, the KIndex, and the electric field mill value. This earlier model was not optimized for any specific forecast interval, but showed promise for 6 hour and 1.5 hour forecasts. Two new models were developed and verified. These new models were optimized for two operationally significant forecast intervals. The first model was optimized for the 0.5 hour lightning advisories issued by the 45th Weather Squadron. An additional 1.5 hours was allowed for sensor dwell, communication, calculation, analysis, and advisory decision by the forecaster. Therefore the 0.5 hour advisory model became a 2 hour forecast model for lightning within the 45th Weather Squadron advisory areas. The second model was optimized for major ground processing operations supported by the 45th Weather Squadron, which can require lightning forecasts with a lead-time of up to 7.5 hours. Using the same 1.5 lag as in the other new model, this became a 9 hour forecast model for lightning within 37 km (20 NM)) of the 45th Weather Squadron advisory areas. The two new models were built using binary logistic regression from a list of 26 candidate predictor variables: the current GPS-PW value, the change of GPS-PW over 0.5 hour increments from 0.5 to 12 hours, and the K-index. The new 2 hour model found the following for predictors to be statistically significant, listed in decreasing order of contribution to the forecast: the 0.5 hour change in GPS-PW, the 7.5 hour change in GPS-PW, the current GPS-PW value, and the KIndex. The new 9 hour forecast model found the following five independent variables to be statistically significant, listed in decreasing order of contribution to the forecast: the current GPSPW value, the 8.5 hour change in GPS-PW, the 3.5 hour change in GPS-PW, the 12 hour change in GPS-PW, and the K-Index. In both models, the GPS-PW parameters had better correlation to the lightning forecast than the K-Index, a widely used thunderstorm index. Possible future improvements to this study are discussed.

Kehrer, Kristen C.↗

Breaking the Neptunyl Barrier: Direct Access to Neptunium(IV) in Aqueous Solution via Polyoxometalate-Mediated Reduction and Stabilization

Neptunium exhibits truly unique chemistry as its speciation is dominated by the neptunyl(V) ion (NpO 2 + ). Here, in this study, we describe the spontaneous destabilization and reduction of neptunyl(V) via complexation to the Keggin-type polyoxometalate (POM) ligand PW 11 O 39 7– . The POM-mediated reduction of NpO 2 + does not require any reducing agent and occurs within minutes, at room temperature, and in aqueous solution. The resulting [Np(PW 11 O 39 ) 2 ] 10- complex (Np(PW 11 ) 2 ) remains soluble, water-stable, and air-stable for weeks and persists over an extended acidity range. Single-crystal structure, solid-state Raman and UV–visible absorbance characterization of Np(PW 11 ) 2 revealed a mixed alpha/beta isomery of the Keggin ion, forming an unprecedented 50:50 mixture of Np(α-PW 11 ) 2 and Np(α-PW 11 )(β-PW 11 ). Experiments with other tetravalent ions (i.e., Zr 4+ , Hf 4+ , Ce 4+ , and Th 4+ ) indicate that the occurrence of the beta isomer is specific to Np 4+ and independent of the cation’s size. Solution-state characterization of the Np-PW 11 system via UV-visible-NIR absorbance, 31 P NMR, VT NMR, and relaxometry further elucidated the speciation. Moreover, comparative experiments with uranium revealed that the two types of actinyl ions (UO 2 2+ vs NpO 2 + ) undergo drastically different reactions in the presence of PW 11 . UO 2 2+ is not reduced but instead uses PW 11 as a phosphate reservoir and precipitates as uranyl phosphate.

Hastings, Ashley M. [Lawrence Livermore National L↗

Structural and Spectroscopic Characterization of Plutonium and Other Tetravalent Metals Complexed to a Keggin Ion

Here, we report the isolation of the first plutonium(IV) complex with a Keggin ion chelator: Cs 20 [Pu(PW 11 O 39 ) 2 ] 2 ·13H 2 O. Single crystal XRD and solid-state UV–vis absorbance analysis demonstrate the stabilization of Pu 4+ by the Keggin ligand. The unit cell contains two [Pu(PW 11 O 39 ) 2 ] 10– complexes (Pu(PW 11 ) 2 ) bridged by Cs + . Raman and 31 P NMR spectra of Pu(PW 11 ) 2 are consistent with the analogous Zr 4+ , Hf 4+ , Ce 4+ , and Th 4+ complexes. The Pu–O bond distances at the two Pu sites are 2.35(3) and 2.34(3) Å, matching the value extrapolated from the bonding trend built with the other 8-coordinated tetravalent cations. However, the long-range arrangement of the Pu(PW 11 ) 2 complexes within the lattice is unique in the series of M IV (PW 11 ) 2 compounds: pairs of Pu(PW 11 ) 2 are organized perpendicular to each other. Based on solution-state UV–visible absorbance, small-angle X-ray scattering (SAXS), and 31 P NMR, the tetravalent cations quantitatively form the 1:2 species in solution ([Pu(PW 11 O 39 ) 2 ] 10– (aq) ) and no 1:1 species ([Pu(PW 11 O 39 )(H 2 O) x ] 3– (aq) ). Finally, a linear correlation exists between the metal–oxygen distances in the M IV (PW 11 ) 2 compounds and the corresponding metal dioxides, allowing for extrapolation for Pa 4+ , Am 4+ , and Bk 4+ . The results indicate that our microscale POM approach represents a viable pathway to probe properties of rare actinide ions in discrete molecules, beyond the traditional oxide extended solids.

and nuclear chemistry↗