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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Spectroscopic assessment of Wise-based young stellar object selection near λ and σ Orionis

We have conducted a sensitive search down to the hydrogen burning limit for unextincted stars over ~200 square degrees around Lambda Orionis and 20 square degrees around Sigma Orionis using the methodology of Koenig and Leisawitz. From WISE and 2MASS data we identify 544 and 418 candidate young stellar objects (YSOs) in the vicinity of λ and σ respectively. Based on our followup spectroscopy for some candidates and the existing literature for others, we found that ~80% of the K14-selected candidates are probable or likely members of the Orion star-forming region. The yield from the photometric selection criteria shows that WISE sources with K{sub S}-w3>1.5 mag and K{sub S} between 10 and 12 mag are most likely to show spectroscopic signs of youth, while WISE sources with K{sub S}-w3 > 4 mag and K{sub S}>12 were often active galactic nuclei when followed up spectroscopically. The population of candidate YSOs traces known areas of active star formation, with a few new “hot spots” of activity near Lynds 1588 and 1589 and a more dispersed population of YSOs in the northern half of the H ii region bubble around σ and ϵ Ori. A minimal spanning tree analysis of the two regions to identify stellar groupings finds that roughly two-thirds of the YSO candidates in each region belong to groups of 5 or more members. The population of stars selected by WISE outside the MST groupings also contains spectroscopically verified YSOs, with a local stellar density as low as 0.5 stars per square degree.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗
DOE OSTI2021

The CatWISE2020 Catalog

The CatWISE2020 Catalog consists of 1,890,715,640 sources over the entire sky selected from Wide-field Infrared Survey Explorer (WISE) and NEOWISE survey data at 3.4 and 4.6 μm (W1 and W2) collected from 2010 January 7 to 2018 December 13. This data set adds two years to that used for the CatWISE Preliminary Catalog, bringing the total to six times as many exposures spanning over 16 times as large a time baseline as the AllWISE catalog. The other major change from the CatWISE Preliminary Catalog is that the detection list for the CatWISE2020 Catalog was generated using crowdsource from Schlafly et al., while the CatWISE Preliminary Catalog used the detection software used for AllWISE. These two factors result in roughly twice as many sources in the CatWISE2020 Catalog. The scatter with respect to Spitzer photometry at faint magnitudes in the COSMOS field, which is out of the Galactic Plane and at low ecliptic latitude (corresponding to lower WISE coverage depth) is similar to that for the CatWISE Preliminary Catalog. The 90% completeness depth for the CatWISE2020 Catalog is at W1 = 17.7 mag and W2 = 17.5 mag, 1.7 mag deeper than in the CatWISE Preliminary Catalog. In comparison to Gaia, CatWISE2020 motions are accurate at the 20 mas yr-1 level for W1~15 mag sources and at the ~100 mas yr-1 level for W1~17 mag sources. This level of accuracy represents a 12 improvement over AllWISE. Finally, the CatWISE catalogs are available in the WISE/NEOWISE Enhanced and Contributed Products area of the NASA/IPAC Infrared Science Archive.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Probing Complexity using the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS)

The goal of our research program is to investigate fundamental interactions between photons and molecular/nano-systems to advance our quantitative understanding of electron correlations, charge transfer and many body phenomena. Our research projects focus on probing, on a femtosecond time-scale, multi-electron interactions and tracing nuclear motion in order to understand, and ultimately control energy flow and charge transfer processes from electromagnetic radiation to matter. The experiments will be carried out with state of the art instrumentation built by the P.I. team with funds from a DoE "Single Investigator and Small Group Research" (SISGR) grant. The research projects carried out the past three years consisted of first experiments using the Linac Coherent Light Source (LCLS) x-ray free electron laser (FEL) facility at the SLAC National Laboratory, as well as the study of correlated processes in select anions using the Advanced Light Source (ALS). A report for the past cycle is described in section II. These studies have paved the way for our renewal application for the next three years. Our research interests for the next three years extend our past and present research by carrying out time-resolved measurements described in section III. They will consist of: a) The study of molecular dynamics that happen on ultrafast time scales, using pump-probe schemes and the study of non-linear physics in the x-ray regime via multi-photon absorption from the LCLS. This will be achieved by measuring and examining both electronic and nuclear dynamics subsequent to the interaction of molecules and nano-systems with LCLS pulses of various wavelength, intensity and pulse duration as described in section III.A. b) The study of molecular dynamics and correlated processes via absorption of vuv-soft x-rays from the Advanced Light Source (ALS) at Lawrence Berkeley Laboratory to provide single-photon ionization baseline results for LCLS studies. In addition, we will study the photodetachment of anions using the ALS as described in section III. B. The PI has an ALS approved program (AP) thus has guaranteed beamtime. Our research underpins several aspects of the DOE mission since our investigations of the formation and evolution of energized states in molecules and nanostructures provides a fundamental basis for understanding elementary processes in solar energy conversion and radiation-induced chemistry. Most of our work is carried out in a strong partnership with theorists. Our proposed work falls in the class of research reported to be timely and necessary by the 2013 DoE Basic Energy Sciences Advisory Committee (BESAC) Subcommittee report on Future X-ray Light Sources. Specifically, our proposed experiments fall in the category labeled class II, “Spectroscopy and Dynamics with FELs”.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2010

Automatic Identification of Solar X-Ray Bright Points in Hinode X-Ray Data

We have automated a method that is used to find point sources in Chandra X-ray telescope data, to identify solar bright points in Hinode X-ray data. This tool, called lextrct, first identifies candidate sources that are brighter than the surrounding background. The algorithm also allows selected pixels to be excluded from the source-finding, thus allowing saturated pixels (from flares and/or active regions) to be ignored. We then use lextrct to fit the sources to two-dimensional, elliptical Gaussians. The size and orientation give an approximation of the shape of the bright points. We are in the process of analyzing observations through the Al_poly filter with a four-second exposure time, to obtain a catalogue of bright points, which will include their sizes, lifetimes, intensities, and position on the solar disk

Adams, M. L.↗
DOE OSTI2015

Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer

The carbenium ion with nominal formula [C,H{sub 4},O]{sup +} is produced from methanol or ethylene glycol in a pulsed-discharge supersonic expansion source. The ion is mass selected, and its infrared spectrum is measured from 2000 to 4000 cm{sup −1} using laser photodissociation spectroscopy and the method of rare gas atom tagging. Computational chemistry predicts two isomers, the methanol and methylene-oxonium cations. Predicted vibrational spectra based on scaled harmonic and reduced dimensional treatments are compared to the experimental spectra. The methanol cation is the only isomer produced when methanol is used as a precursor. When ethylene glycol is used as the precursor, methylene-oxonium is produced in addition to the methanol cation. Theoretical results at the CCSD(T)/cc-pVTZ level show that methylene-oxonium is lower in energy than methanol cation by 6.4 kcal/mol, and is in fact the global minimum isomer on the [C,H{sub 4},O]{sup +} potential surface. Methanol cation is trapped behind an isomerization barrier in our source, providing a convenient method to produce and characterize this transient species. Analysis of the spectrum of the methanol cation provides evidence for strong CH stretch vibration/torsion coupling in this molecular ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Primary lithium cell life studies

One solution for providing a truly independent power source is to package, within the critical subsystem element, a primary battery that can remain dormant for time periods as long as the mission life, which can be 10-15 years, maximum. When primary power from the spacecraft solar array/battery system is interrupted, the backup battery system, which is connected through a diode to the power input line, would automatically support the load to avoid a power interruption to the critical load for a time period long enough to ensure that ground control could access the satellite and correct the anomaly by sending appropriate commands to the spacecraft. Critical subsystems identified for the application are telemetry and command circuits, volatile computer memory, attitude control circuits, and some critical payloads. Due to volume packaging and weight restrictions that exist on most spacecraft, coupled with the long storage periods required, lithium cell technology was selected for the backup power source. Because of the high energy density (200-400 Wh/kg), long shelf life, and load capability, soluble cathode primary lithium technology was chosen. The most important lithium cell properties that require detail characterization for this application are capacity loss, shelf life, and the voltage delay mechanism. These are functions of storage time and temperature. During storage, a passive film builds up on the lithium electrode. The film protects the lithium electrode from progressive capacity decay but requires time to break down when a load is applied. This phenomenon results in a depressed voltage during the period of film breakdown which can last from fractions of a second to minutes.

Capulli, John↗
DOE OSTI2021

Transportation Hub Infrastructure Expansion: Decision Support Under Uncertainty

The Athena project (www.athena-mobility.org) has worked to investigate the relationship between the Dallas-Fort Worth Airport (DFW) and the greater Dallas area in order to better understand and therefore better inform future decision-making regarding the critical infrastructure that influence mobility between the airport and the city. Through this work, infrastructure related to curbside pickup and drop-off, parking, public transit, and the road network congestion were identified as critical to the operation of the DFW transportation hub. The infrastructure analysis and expansion aspect of the Athena project is focused on the restructuring of the CTA curb as a hierarchical curb and the building or repurposing of parking infrastructure as the interplay between these two areas. Many sources of uncertainty exist that may impact future airport and transportation hub operations, such as passenger volume growth, population demographic changes over time, electric vehicle (EV) adoption rates, and autonomous vehicle (AV) adoption rates. Due to these sources of uncertainty, we have selected for our research a modeling framework that can capture various types of uncertainty and hedge against those uncertainties in the optimization process. We analyze road network and curb congestion, the rise of transportation networking companies, trends in parking usage, existing policies around this infrastructure, airport revenue streams, and other contributing factors to enable infrastructure decision making with less uncertainty. To accomplish this wholistic analysis, we have developed a novel multi-stage, multi-period stochastic optimization model which considers the airport's decisions from 2025-2045 under different possible future macro trajectories and day-to-day variations in operational conditions captured as "annual representation of operations" scenarios with respective probabilities. This model has also been designed to leverage the outputs of various efforts under the Athena project to create a combined decision framework for infrastructure decisions. These various efforts include the route optimization model, the ASPIRES simulation, the mode choice model, and the SUMO traffic simulation. Our computational experiments of this system at scale have resulted in a working version of our infrastructure model which enables the explicit representation and consideration of various sources of uncertainty in the decision process to enable robust, flexible decision-making. This model has been effectively run on NREL's HPC system, Eagle, with large numbers of stochastic scenarios and shows promise as a scalable tool for robust consideration of uncertainties in airport planning. We have tested our model using 30,240 operational circumstances in total, resulting in a problem with more 200 million variables. This model was solved in several different configurations, and a workflow to simulate the performance of the infrastructure model results was developed and deployed. In general, our results indicate that a combination of remote parking, remote curb infrastructure, and dynamic pricing can generate revenue, reduce emissions, accommodate emerging technologies such as AVs and EVs, and manage airport passenger growth over time. We note the success of the proposed strategy depends on the data collection and forecasting abilities of DFW. We have also seen that the AV adoption by TNCs might necessitate larger amounts of remote curb. The results of this work inform strategies for airport infrastructure decision making, as well as demonstrate the value of an adaptable model, but also indicate that there are avenues remaining where further research would be of value.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2007

Lu-Hf and Sm-Nd Isotopic Studies of Shergottites and Nakhlites: Implications for Martian Mantle Sources

We present a new Lu-Hf and Sm-Nd isotope systematics study of four enriched shergottites (Zagami, Shergotty, NWA856 and Los Angeles), and three nakhlites (Nakhla, MIL03346 and Yamato 000593) in order to further understand processes occurring during the early differentiation of Mars and the crystallization of its magma ocean. Two fractions of the terrestrial petrological analogue of nakhlites, the Archaean Theo's flow (Ontario, Canada) were also measured. The coupling of Nd and Hf isotopes provide direct insights on the mineralogy of the melt sources. In contrast to Sm/Nd, Lu/Hf ratios can be very large in minerals such as garnet. Selective partial melting of garnet bearing mantle sources can therefore lead to characteristic Lu/Hf signatures that can be recognized with Hf-176/Hf-177Hf ratios.

Debaille, V.↗
NASA NTRS2010

Diffuse-Illumination Systems for Growing Plants

Agriculture in both terrestrial and space-controlled environments relies heavily on artificial illumination for efficient photosynthesis. Plant-growth illumination systems require high photon flux in the spectral range corresponding with plant photosynthetic active radiation (PAR) (400 700 nm), high spatial uniformity to promote uniform growth, and high energy efficiency to minimize electricity usage. The proposed plant-growth system takes advantage of the highly diffuse reflective surfaces on the interior of a sphere, hemisphere, or other nearly enclosed structure that is coated with highly reflective materials. This type of surface and structure uniformly mixes discrete light sources to produce highly uniform illumination. Multiple reflections from within the domelike structures are exploited to obtain diffuse illumination, which promotes the efficient reuse of photons that have not yet been absorbed by plants. The highly reflective surfaces encourage only the plant tissue (placed inside the sphere or enclosure) to absorb the light. Discrete light sources, such as light emitting diodes (LEDs), are typically used because of their high efficiency, wavelength selection, and electronically dimmable properties. The light sources are arranged to minimize shadowing and to improve uniformity. Different wavelengths of LEDs (typically blue, green, and red) are used for photosynthesis. Wavelengths outside the PAR range can be added for plant diagnostics or for growth regulation

May, George↗
DOE OSTI2018

The development of methods for primary mast cells in vitro and ex vivo: An historical review

Highlights: • Mast cells form a first-line defense of immune system against various challenges. • Over the past few decades, technologies for acquiring mast cells have been continually optimized. • The advantages and applicability of diverse mast cell models evaluated. • It is important to choose a proper cell source for mast cell-related experiments. Mast cells (MCs) are tissue-based stationary effector cells that form the immune system's first-line defense against various challenges. They are developed from the bone marrow-derived progenitors to complete their differentiation and maturation in the tissues where they eventually establish residence. MCs have been implicated in many diseases, such as allergy, parasitic infection, and neoplastic disorders. Immortalized MC lines, such as RBL-2H3, HMC-1, and LAD-2, are useful for investigating the biological functions of MC only to some extents due to the restriction of degranulation evaluation, in vivo injection and other factors. Over the past few decades, technologies for acquiring primarily MCs have been continually optimized, and novel protocols have been proposed. However, no relevant publications have analyzed and summarized these techniques. In this review, the classical approaches for extracting MCs are generalized, and new methods with potential values are introduced. We also evaluate the advantages and applicability of diverse MC models. Since MCs exhibit substantial plasticity and functional diversity due to different origins, it is both necessary and urgent to select a reliable and suitable source of MCs for a particular study.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Constant Rate Production: DOE Approach to Meeting NASA Needs for RPS for Nuclear-Enabled Launches.

The use of radioisotope power systems (RPS) for nuclear-enabled NASA missions is a long-standing arrangement between DOE and NASA. The requirements for the power system come from NASA, while DOE performs the procurement, fueling, testing and delivery. Recent examples include Mars Science Laboratory and New Horizons. A challenge has been interplay between the schedule for RPS availability from DOE versus the schedule NASA has for competitively selected missions. By mutual agreement, the actual operations to procure an RPS and prepare it for fueling, has always waited until the final selection of a mission. This timeline for a New Frontiers class mission leaves approximately 5-6 years from the time of final mission selection to the actual launch date. The number of RPS used for a Frontier class mission can be 1 to 3 units, i.e., the recent New Frontiers-2025 announcement of opportunity published in December 2016. If 1 or 2 units are needed for a specific mission, the timeline from the decision point to the launch date is a challenge, but doable. The activities taking place in this timeframe would include manufacturing the power system, producing the fuel, and performing the assembly/testing and delivery operations. If the mission selected requires 3 RPS the logistics of accomplishing all activities during the 5-6 years is problematic. The challenge involves appropriate resourcing for plutonium production, heat source production and assembly/testing operations. Typically, the time between RPS-enabled missions involve staffing attrition and reduction at the heat source production and the assembly/testing facilities that can be down to 60-75 percent of peak staffing levels to reduce costs. The duration for increasing staffing in these areas, which includes hiring, nuclear workforce training and obtaining the appropriate security clearance is 2 years. Taking account for this 2 years and the 6 months prior to launch arrival of the RPS at Kennedy Space Center erodes too much of the 5-6 years to comfortably support the use of 3 RPS on a mission and doesn't leave much schedule margin for a 2 RPS unit mission. To provide better support for NASA nuclear-enabled missions a different approach was devised, constant rate production. This involves a higher level of base capability at Los Alamos National Laboratory (LANL), Idaho National Laboratory (INL) and Oak Ridge National Laboratory (ORNL) to provide a stabilized work force. This will enable 10-15 heat sources to be produced annually at LANL, and subsequently shipped to the INL to be placed into a stable intermediate form that enables storage for up to several years that leads to quick production of general purpose heat source modules when a mission is selected. The up-front production of Pu-238 at ORNL is maintained so that there is material constantly in the pipeline. Production of key specialized components at ORNL is also maintained using this model. This allows for a reduction of risk to the nuclear-enabled missions, yet always having quantities of hardware available “on the shelf” to support production of RPS for NASA.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1992

The discovery of an X-ray selected, radio-loud quasar at z = 3.9

About 600 weak X-ray sources from a data base of about 100,000 2-4sigma fluctuations derived from Einstein Observatory imaging proportional counter X-ray images are selected on the basis of a flux-limited catalog of radio sources in the northern sky. Optical spectroscopy of only six of these sources resulted in the discovery of a quasar with an emission-line redshift of 3.87. Subsequent VLA observations reveal the source to have a flat-spectrum radio core plus an unresolved radio lobe 2.5 arcsec away with a spectral index of 1.45. The lobe is connected to the core by a weak jet. The integrated flux density of the source at 20 cm is 0.66 Jy. The v magnitude of the quasar is 19.5, and the tentative X-ray sources has a very soft spectrum. The properties of this object are discussed in the context of known high-redshift radio sources and existing X-ray selected quasar samples, and the potential of the present discovery technique for examining the properties of very distant active galaxies is explored.

Becker, R. H.↗
DOE OSTI2020

Validation of selection function, sample contamination and mass calibration in galaxy cluster samples

ABSTRACT We construct and validate the selection function of the MARD-Y3 galaxy cluster sample. This sample was selected through optical follow-up of the 2nd ROSAT faint source catalogue with Dark Energy Survey year 3 data. The selection function is modelled by combining an empirically constructed X-ray selection function with an incompleteness model for the optical follow-up. We validate the joint selection function by testing the consistency of the constraints on the X-ray flux–mass and richness–mass scaling relation parameters derived from different sources of mass information: (1) cross-calibration using South Pole Telescope Sunyaev-Zel'dovich (SPT-SZ) clusters, (2) calibration using number counts in X-ray, in optical and in both X-ray and optical while marginalizing over cosmological parameters, and (3) other published analyses. We find that the constraints on the scaling relation from the number counts and SPT-SZ cross-calibration agree, indicating that our modelling of the selection function is adequate. Furthermore, we apply a largely cosmology independent method to validate selection functions via the computation of the probability of finding each cluster in the SPT-SZ sample in the MARD-Y3 sample and vice versa. This test reveals no clear evidence for MARD-Y3 contamination, SPT-SZ incompleteness or outlier fraction. Finally, we discuss the prospects of the techniques presented here to limit systematic selection effects in future cluster cosmological studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Complex Sources and Impacts on Remediation and Monitoring Approaches

Remedy selection, implementation, and coordination with tank farm activities for adjacent waste sites need to be facilitated by a technically defensible description of sources and their relative strength and temporal contributions to groundwater contamination. Detailed data describing contaminant source releases are typically not available, so source locations are highly uncertain. Furthermore, data on sources and model parameters are not readily available through direct measurements. Instead, source data are often derived by extrapolation from a few direct and/or indirect measurements, while model parameters are commonly estimated using inverse modeling or calibration methods. Because the conceptual model of sources will influence the mass and timing of the flux of contaminants to groundwater, uncertainty in the source terms should be considered. Even though a best-fit model can often be identified, it may not be the best representation of the sources given the sparse, uncertain nature of the data used for estimating source terms. To support future feasibility studies, a systematic approach is needed for identifying remediation and monitoring activities appropriate under conditions of uncertainty. In this study, an integrated assessment of alternative conceptual model elements has been examined using the B-Complex site in the Hanford Central Plateau to demonstrate how multiple sources in a waste management complex can be described to identify their relative contributions to groundwater. The heterogeneous structure of the system is modeled based on available field information on the lithological data for both the vadose zone and aquifer. The approach includes a simulation assessment and linkages to site data, with an uncertainty analysis applied to evaluate the effects of source term uncertainty on contaminant mass flux to groundwater. An integrated assessment of alternative conceptual model elements was evaluated to identify how parameter uncertainty impacts both temporal and spatial uncertainties associated with vadose zone source terms. Modeling scenarios identify important characteristics of remediation target zones to provide context for how surface barriers, in situ remedies, and water-table treatment zones can be designed to account for source dynamics. Ramifications for remediation and monitoring are discussed within the context of the source term uncertainty. The described approach facilitates systematically addressing alternative conceptual model questions in relation to remediation and monitoring and supports the remedial investigation/ feasibility study process and the remediation strategy development for the Hanford Central Plateau.

Rockhold, Mark L.↗
NASA NTRS1977

Absolute flux density calibrations of radio sources: 2.3 GHz

A detailed description of a NASA/JPL Deep Space Network program to improve S-band gain calibrations of large aperture antennas is reported. The program is considered unique in at least three ways; first, absolute gain calibrations of high quality suppressed-sidelobe dual mode horns first provide a high accuracy foundation to the foundation to the program. Second, a very careful transfer calibration technique using an artificial far-field coherent-wave source was used to accurately obtain the gain of one large (26 m) aperture. Third, using the calibrated large aperture directly, the absolute flux density of five selected galactic and extragalactic natural radio sources was determined with an absolute accuracy better than 2 percent, now quoted at the familiar 1 sigma confidence level. The follow-on considerations to apply these results to an operational network of ground antennas are discussed. It is concluded that absolute gain accuracies within + or - 0.30 to 0.40 db are possible, depending primarily on the repeatability (scatter) in the field data from Deep Space Network user stations.

Freiley, A. J.↗
DOE OSTI2025

Polyethylene Upcycling to Liquid Alkanes in Molten Salts under Neat and External Hydrogen Source-Free Conditions

Development of facile approaches to convert plastic waste into liquid fuels under neat conditions is highly desired but challenging, particularly without noble metal catalysts and an external hydrogen source. Herein, highly efficient and selective polyethylene-to-gasoline oil (branched C 6 –C 12 alkanes) conversion was achieved under mild conditions (<170 °C) using commercially available AlCl 3 -containing molten salts as reaction media and to provide catalytic sites (no extra solvents, additives, or hydrogen feeding). The high catalytic efficiency and selectivity was ensured by the abundant active Al sites with strong Lewis acidity (comparable to the Al type in acidic zeolite) and highly ionic nature of the molten salts to stabilize the carbenium intermediates. Dynamic genesis of the Al sites was elucidated via time-resolved Al K-edge soft X-ray and 27 Al NMR, confirming the tricoordinated Al 3+ as active sites and its coordination with the as-generated alkene/aromatic intermediates. Further, the carbenium formation and polyethylene chain variation was illustrated by inelastic neutron scattering (INS) and an isotope-labeling experiment. Theoretical simulations further demonstrated the successive hydride abstraction, β-scission, isomerization, and internal hydrogen transfer reaction pathway with AlCl 3 as active sites. This facile catalytic system can further achieve the conversion of robust, densely assembled, and high molecular weight plastic model compounds to liquid alkane products in the diesel range.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗