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DOE OSTI2018

Ediesel: Diesel Additive production from ethanol and bio-diesel coproducts

This project has focused on supporting and expanding the U.S. ethanol industry by developing new conversion routes and products from ethanol and the byproducts made in ethanol fermentation. The work is relevant to the DOE program goals of developing high-margin chemical products in the biorefinery to economically support large-scale biofuel production. The higher alcohols from condensation of ethanol, alkylated amine compounds made by electrocatalytic alkyation, and fusel alcohols produced by modified fermentation microorganisms are all existing or potentially large-scale commodity or specialty chemicals with well-defined uses in industry. The formation of higher alcohols from ethanol in the condensed phase developed several catalysts, first in stirred batch autoclave reactors and then in a continuous flow reactor system, to achieve significant yields of n-butanol and higher alcohols. The best selectivity to higher alcohols exceeded 80% of theoretical at ethanol conversions of 30-40%. From the laboratory experiments and analysis of the phase equilibria of the species involved, a process concept was generated and simulated in AspenPlus to determine the specifications of the various equipment involved in the process. Results show that for the conversion and selectivity described above, the required n-butanol selling price of ~$1.60/kg is in the range of current n-butanol selling price in the marketplace. Several additional permutations of the process, along with evaluation of higher conversion and selectivities to desired alcohol products, showed that the production of n-butanol from ethanol should be competitive in the marketplace as the science and engineering behind the process improves with continued development. A second aspect of the project focused on producing fusel alcohols in increased quantities during ethanol fermentation. Fusel alcohols, which are composed primarily of isoamyl alcohol and minor quantities of C3-C6 alcohols, have potential as higher value feed stocks for specialty chemical production. Several strains of yeast were evaluated for fusel alcohol production, and the most efficient process for separating and purifying fusel alcohols was developed from both experiments and simulation. Finally, model fusel alcohol mixtures were subjected to condensation reactions with ethanol to prepare higher alcohols that again have potential for specialty chemical or solvent applications. In this preliminary work, measurable quantities of several species were observed, including some species that were previously unknown or uncharacterized in the literature. The third aspect of the project involved the electrocatalytic alkylation of amines with alcohols to form alkyl amines. Ethanol has been demonstrated to serve as an effective ethyl group transfer agent to the nitrogen centers of amines, a reaction with only water as a byproduct. Mild reaction conditions (60 °C, aqueous solution) are enabled by the novel use of simple, undivided electrochemical cell reactors that include long-lived, low cost catalytic electrodes. Direct polyalkylation of ammonia and isolation of the resulting triethylamine product was readily achieved in high yield. Though classical high temperature and pressure industrial scale alkylations reactions will likely continue to be used for production of simple product such as triethylamine, this approach has opened the door to the low cost, low waste use of ethanol and related primary and secondary alcohols to alkylate more delicate amines that were heretofore difficult to synthesize.

02 PETROLEUM↗

DOE OSTI2017

Iron Behavior in Microcosms Simulating Bioreduction in Savannah River Site Sediments - 17389

An estimated 1.8 billion gallons of acidic low-activity waste solutions originating from the processing of uranium slugs and irradiated fuel at separation facilities at the Savannah River Site (SRS) were discharged to the unlined seepage basins located in the F/H-area. The acidic solutions of the basin influent (pH from 3.2 to 5.5) contaminated with a variety of radionuclides and dissolved metals caused groundwater contamination. In 2010, DOE funded a demonstration of the Enhanced Anaerobic Reductive Precipitation (EARP) process at the SRS F-Area that consisted of in-situ injections of a carbohydrate substrate to establish anaerobic reactive zones for metal and radionuclide remediation. The addition of the molasses substrate solution to groundwater was done to produce anaerobic conditions conducive to uranium reduction and then precipitation as uranium (IV). The SRS soil is highly weathered and features very low natural alkalinity. A microcosm study, prepared with sieved SRS sediments and augmented with a solution mixture containing molasses and sulfate, was designed to provide evidence of the capabilities of this remediation technology under SRS environmental conditions. The objective of these microcosm experiments was to replicate the anaerobic conditions created as a result of injections of molasses combined with sulfate ions, similar to the EARP process that was performed at SRS, and investigate if any mineralogical changes could occur in the soil due to the addition of molasses. Specifically, the study aimed to determine if solid phases of reduced iron such as siderite and pyrite would be formed, as this would indicate the potential to form a long-lasting bioreductive zone. An understanding of this technology will be useful in determining if it is a viable option for remediation. In the experiments, the media solution was amended with molasses and sulfate to stimulate sulfate-reducing bacteria. Sulfate reduction occurs extensively under the redox conditions occurring after iron reduction and before methanogenic conditions. These conditions are considered the second most reducing condition in natural groundwater systems. Microcosm tubes prepared in triplicate were kept inside an anaerobic glove box, which was continuously monitored to ensure that conditions remained anaerobic. The initial X-ray diffraction (XRD) analyses on the background sediment samples indicated the presence of quartz, kaolinite, montmorillonite, and goethite. In the molasses-treated samples there were no visible peaks for reduced forms of iron such as siderite and pyrite. The pH measurements suggest that all samples in either batch, including those that were brought to a neutral pH before the addition of the sediments, have followed a similar trend with a decline in the pH value to between 4 and 4.7. This can be attributed to the fermentation of molasses and the natural acidity of the SRS sediments used for the microcosm study. In the acidic iron-rich sediment, the microbial reduction of Fe (III) was the predominant electron-accepting process for oxidation of the organic substrate. The maximum iron concentration detected during the experiments was 13 mg/L. Analytical results showed that there was no sulfate reduction in any of the samples augmented with sulfate and the concentration remained level at 500 ppm as originally added to the initial solutions (518 - 542 mg/L). This is consistent with the absence of any indication of iron sulfide formation. Under the experimental conditions in these microcosms, the abundance of biologically available Fe (III) allows Fe (III)-reducers to out-compete sulfate-reducing bacteria using molasses as an electron donor. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Design and full core fuel performance assessment of high burnup cores for 4-loop PWRs

Increasing the fuel discharge burnup of current light water reactors (LWRs) promises reductions in fuel cycle and/or operations costs. By assuming a constant core power density, the economic gain is enabled by better fuel utilization and/or an increased capacity factor. In this effort to investigate greater than 62 MWd/kgU maximum rod average burnup for 110+ kW/l core power density, two core designs have been developed for a standard 17x17, 193 fuel assemblies pressurized water reactor (PWR). The levelized unit cost methodology is employed to evaluate fuel cycle, operation and maintenance, and capital cost impacts and to examine the economic viability of both core design pathways. Core design and optimization are performed using the commercial STUDSVIK code package. Fuel performance analysis is realized in full core configuration via auditing FRAPCON4.1, FAST1.2, and the high-fidelity code BISON. To provide a realistic assessment, the core design process takes into consideration best practices in current PWR core design. It features acceptable performance in terms of various core design constraints on maximum allowable peaking and boron concentration. Gadolinia (Gd2O3) is used as a burnable poison with a maximum of 9 wt% concentration while feeding 89 or 77 fuel assemblies in a 3-batch refueling scheme. Full core fuel performance simulation, which allows for characterization of relevant fuel temperatures, plenum pressures, stresses, and strains, is performed with respect to two bounding burnup levels. Such performance is potentially licensable for the 18-month high burnup core (<68 MWd/kgU peak pin), while it is more challenging for the 24-month high burnup core design pathway (<75 MWd/kgU peak pin). Maximum rod plenum pressure is identified as the most limiting fuel performance parameter. Here, while the scope of the present study focuses on the steady-state plus overpower conditions, the acceptability of the new discharge burnup has to be further assessed by considering uncertainties and impacts under accident scenarios in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Genome-scale metabolic rewiring improves titers rates and yields of the non-native product indigoidine at scale

Abstract High titer, rate, yield (TRY), and scalability are challenging metrics to achieve due to trade-offs between carbon use for growth and production. To achieve these metrics, we take the minimal cut set (MCS) approach that predicts metabolic reactions for elimination to couple metabolite production strongly with growth. We compute MCS solution-sets for a non-native product indigoidine, a sustainable pigment, in Pseudomonas putida KT2440, an emerging industrial microbe. From the 63 solution-sets, our omics guided process identifies one experimentally feasible solution requiring 14 simultaneous reaction interventions. We implement a total of 14 genes knockdowns using multiplex-CRISPRi. MCS-based solution shifts production from stationary to exponential phase. We achieve 25.6 g/L, 0.22 g/l/h, and ~50% maximum theoretical yield (0.33 g indigoidine/g glucose). These phenotypes are maintained from batch to fed-batch mode, and across scales (100-ml shake flasks, 250-ml ambr®, and 2-L bioreactors).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Online learning of quadratic manifolds from streaming data for nonlinear dimensionality reduction and nonlinear model reduction

Here, this work introduces an online greedy method for constructing quadratic manifolds from streaming data, designed to enable in situ analysis of numerical simulation data on the Petabyte scale. Unlike traditional batch methods, which require all data to be available upfront and take multiple passes over the data, the proposed online greedy method incrementally updates quadratic manifolds in one pass as data points are received, eliminating the need for expensive disk input/output operations as well as storing and loading data points once they have been processed. A range of numerical examples demonstrate that the online greedy method learns accurate quadratic manifold embeddings while being capable of processing data that far exceed common disk input/output capabilities and volumes as well as main-memory sizes.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Direct Feed High-Level Waste APPS Model Glass Testing (DFHLW APPS) Matrix, Phase 2

This report summarizes the data collected during the batching and melting of a second matrix of Direct Feed High-Level Waste (DFHLW) glasses generated using the preliminary enhanced waste glass models (EWG2.5) and the Britton and Anderson (2024) preliminary DFHLW feed vector. The purpose of these glasses is two-fold: 1. Validate EWG2.5 glass calculations being used in the Aspen Process Performance Simulation (APPS) model. 2. Evaluate and ultimately improve the glass property models and formulation methods used for design of DFHLW glasses as part of an iterative process of data collection and model refinement. Some of the 16 APPS2 glasses tested did not satisfy all target property constraints due to the limited data on DFHLW glass supporting the EWG2.5 models. • One glass, APPS2-10, formed nepheline on canister centerline cooling (CCC) heat-treatment and failed the product consistency test (PCT) response limits. This glass also had high B and Cr release rates for the toxicity characteristic leaching procedure (TCLP). All other glasses were found to satisfy the PCT and TCLP constraints for both quenched and CCC samples. • One glass, APPS2-08, had higher than acceptable viscosity due to magnetite crystallization. • One glass, APPS2-09, formed greater than 2 vol% crystals at 950 °C. As the glass design criterion was that the temperature at 2 vol% crystal (T 2% ) be less than 950 °C, only one glass failed the criteria. However, this criterion is being reevaluated. Four additional glasses formed crystal fractions between 1 and 2 vol% at 950 °C (APPS2-03, -08, -12, and -14). • Four glasses – APPS2-01, -02, -04, and -16 – failed the Monofrax K-3 refractory neck corrosion (k neck ) design limit of 0.04 in. at 1208 °C for 6 d. This is another criterion being reevaluated. Four additional glasses (APPS2-05, -06, -11, and -13) exhibited 0.025 = k neck = 0.04 in. • All 16 glasses passed the sulfur solubility and TCLP constraints. The measured property values were compared to predicted values using EWG2.5 and a selection of other existing models. A few models (e.g., electrical conductivity, TCLP) were found to be adequate for designing DFHLW glasses in the near future, while others require refits or offsets. It is recommended that new property models be developed for EWG3.0, as a large amount of DFHLW glass property data (> 14 × existing data) is expected to be collected in the compositional spaces where no data was previously available. To enable near-term calculations and formulations for designing DFHLW glasses and processing rate estimations, a formulation algorithm with minor modifications will be developed, EWG2.6.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Effect of Form of Chromium on Spinel Formation

A number of Hanford high level waste (HLW) streams contain sufficiently high concentrations of chromium for it to become the waste loading limiting component in the waste. Chromium has relatively low solubility in borosilicate glasses and leads to the formation of various crystal phases including spinels. The extent of crystal formation must be managed during melter processing to prevent operational issues and potential premature melter failure that can result from excessive accumulation of crystals in the melter. In previous work for the Department of Energy (DOE) Office of River Protection (ORP), high-waste loading glass formulations were developed for representative HLW streams that are high in chromium. Results from those studies suggested that there may be differences in the crystallization behavior between glasses prepared in crucible melts and those prepared in DuraMelter 100 (DM100) joule heated melter runs. Understanding the cause of those differences has the potential to lead to the development of methods to further increase waste loadings for high chromium HLW streams through control of the formation of chromium-bearing crystals. As noted previously, the potential causes include differences in the form of components in the batch, including the form of chromium, as well as redox effects. This report describes the results from work to elucidate the origins of the observed differences and to identify melter feed composition modifications to control the formation of chromium-bearing crystal phases. The work focused on determining the effects of the form of chromium and the concentrations of oxidants in feed batches on spinel crystallization. Also evaluated was the use of potential melter feed additives to influence the redox state of chromium in the melt and its effect on spinel crystallization. As described in the Test Plan for this work, the objectives were accomplished through a combination of crucible-scale tests, small-scale tests with additives to influence redox state, and melter tests. This work builds on previous work performed at the Vitreous State Laboratory (VSL) of The Catholic University of America (CUA) for ORP to increase the waste loadings and processing rates of HLW glass formulations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Butanol production from wood pulping hydrolysate in an integrated fermentation-gas stripping process

Wood pulping hydrolysate (WPH) containing mainly xylose and glucose as a potential substrate for acetone-butanol-ethanol (ABE) fermentation was studied. Due to the inhibitors present in the hydrolysate, several dilution levels and detoxification treatments, including overliming, activated charcoal adsorption, and resin adsorption, were evaluated for their effectiveness in relieving the inhibition on fermentation. Detoxification using resin and evaporation was found to be the most effective method in reducing the toxicity of WPH. ABE production in batch fermentation by Clostridium beijerinckii increased 68%, from 6.73 g/L in the non-treated and non-diluted WPH to 11.35 g/L in the resin treated WPH. With gas stripping for in situ product removal, ABE production from WPH increased to 17.73 g/L, demonstrating that gas stripping was effective in alleviating butanol toxicity by selectively separating butanol from the fermentation broth, which greatly improved solvents production and sugar conversion in the fermentation. (C) 2013 Elsevier Ltd. All rights reserved.

Lu, CC↗

DOE OSTI2023

A Genome-Scale Atlas Reveals Complex Interplay of Transcription and Translation in an Archaeon

The scale of post-transcriptional regulation and the implications of its interplay with other forms of regulation in environmental acclimation are underexplored for organisms of the domain Archaea. Here, we have investigated the scale of post-transcriptional regulation in the extremely halophilic archaeon Halobacterium salinarum NRC-1 by integrating the transcriptome-wide locations of transcript processing sites (TPSs) and SmAP1 binding, the genome-wide locations of antisense RNAs (asRNAs), and the consequences of RNase_2099C knockout on the differential expression of all genes. This integrated analysis has discovered that 54% of all protein-coding genes in the genome of this haloarchaeon are likely targeted by multiple mechanisms for putative post-transcriptional processing and regulation, with about 20% of genes likely being regulated by combinatorial schemes involving SmAP1, asRNAs, and RNase_2099C. Comparative analysis of mRNA levels (transcriptome sequencing [RNA-Seq]) and protein levels (sequential window acquisition of all theoretical fragment ion spectra mass spectrometry [SWATH-MS]) for 2,579 genes over four phases of batch culture growth in complex medium generated additional evidence for the conditional post-transcriptional regulation of 7% of all protein-coding genes. We demonstrate that post-transcriptional regulation may act to fine-tune specialized and rapid acclimation to stressful environments, e.g., as a switch to turn on gas vesicle biogenesis to promote vertical relocation under anoxic conditions and modulate the frequency of transposition by insertion sequence (IS) elements of the IS200/IS605, IS4, and ISH3 families. Findings from this study are provided as an atlas in a public Web resource (https://halodata.systemsbiology.net).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Data from High Solids Loading Biorefinery for the Production of Cellulosic Sugars from Bioenergy Sorghum

A novel process applying high solids loading in chemical-free pretreatment and enzymatic hydrolysis was developed to produce sugars from bioenergy sorghum. Hydrothermal pretreatment with 50% solids loading was performed in a pilot scale continuous reactor followed by disc refining. Sugars were extracted from the enzymatic hydrolysis at 10% to 50% solids content using fed-batch operations. Three surfactants (Tween 80, PEG 4000, and PEG 6000) were evaluated to increase sugar yields. Hydrolysis using 2% PEG 4000 had the highest sugar yields. Glucose concentrations of 105, 130, and 147 g/L were obtained from the reaction at 30%, 40%, and 50% solids content, respectively. The maximum sugar concentration of the hydrolysate, including glucose and xylose, obtained was 232 g/L. Additionally, the glucose recovery (73.14%) was increased compared to that of the batch reaction (52.74%) by using two-stage enzymatic hydrolysis combined with fed-batch operation at 50% w/v solids content.

Conversion↗

DOE OSTI2024

H-Canyon Flowsheet for the Neutralization of Dissolved Fast Critical Assembly (FCA) Fuel

The H-Canyon facility will be dissolving unirradiated stainless-steel clad Fast Critical Assembly (FCA) fuel in HNO3 and neutralizing the resulting solution with 50 wt% NaOH with no recovery operations prior to transfer to the Concentration, Storage, and Transfer Facility (CSTF). There are two types of FCA fuel, including a Pu-Al metal alloy and a mixed U and Pu oxide. H-Canyon anticipates dissolving 16 batches of the metal fuel and two batches of the oxide fuel. Potassium fluoride will be added to the dissolver solution at 0.05 M to promote dissolution. Gadolinium will be added after the dissolution as a thermal neutron poison for criticality control. H-Canyon requested that SRNL evaluate Gd:239Pu equivalent (239PuEq) ratios of 1:1 and 10:1. The neutralization process precipitates metals including actinides, Gd, and cladding components resulting in a slurry. Caustic neutralization is a routine H-Canyon operation, but the FCA dissolver solution will be unique relative to solutions that are typically processed due to the stainless-steel components, high HNO3 concentration of ~8.5 M, and an initial Pu concentration of up to 4 g/L. Previous neutralization studies have been performed for Pu containing solutions but at less than half the initial Pu concentration and much lower initial HNO3 concentrations. Experimental neutralizations targeted a final free hydroxide (OH-) concentration of 0.6 M as this was anticipated to be the final endpoint, but H-Canyon now expects the endpoint to be 1.2 M OH-. The purpose of this study was to characterize the distribution of the actinide, Gd, and cladding components between the precipitate and supernate, determine if the slurry will back up in the header during the transfer to the CSTF, and determine if solids will settle in the pipeline during the transfer.

Mills, Matthew S.↗

DOE OSTI2024

The mechanical properties of Kel-F 800 (FK-800) as a function of crystallinity

Kel-F 800 is a copolymer of chlorotrifluoroethylene PTFE (75 wt. %) and vinylidene fluoride PVDF (25 wt. %). It has previously been used as a PBX binder for insensitive explosives such as PBX 9502 and LX-17. 3M started production of Kel-F 800 in 1957 and small-scale batches continued to be made until 2002 when production ceased due to environmental concerns regarding one of the emulsifiers used during production. Around 2000 the Kel-F 800 name was changed to FK-800 to avoid trademark concerns because rights to produce another polymer with a similar tradename (Kel-F 81) had been sold to another manufacturer. The Kel designation came from the original manufacturer of PCTFE (Kel-F 81), the Kellog company. To avoid confusion this document will only refer to Kel-F 800. In 2006, production of small-scale batches of Kel-F 800 was started again by 3M in response to customer enquiries. This new material, the first blended batch is referred to as LOT 1, was produced with a different emulsifier than used previously. Because Kel-F 800 is made in a small batch reactor, considerable variation in crystallinity can be expected from lot to lot and year to year. In many ways, this is not significant since the material is dissolved in a solvent (often MEK, ethylmethyl ketone or ethyl acetate) for PBX production purposes. This destroys the as received crystallinity and the resulting crystallinity in the processed material is a function of polymer molecular weight and thermal history. Producing large billets of Kel-F 800 from solvent extraction is not practical and so a compression molding technique has been used above the melting temperature. This method also removes residual crystallinity from the supplied granules. The molecular weight of a polymer can be estimated by several techniques, the most common being gel permittivity chromatography (GPC), size exclusion chromatography (SEC) and shear rheometry measurements of polymer/solvent solutions. Changes in molecular weight will affect the crystallization rate and the maximum crystallinity reached for a specific thermal history. Both references agree that the new LOT 1 material molecular weight falls within the deviation found from averaging previous historical lots of Kel-F 800.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

MEMS RF accelerators for nuclear energy and advanced manufacturing

Energetic ions are widely used to develop radiation hard structural materials and fuels for advanced nuclear energy. Ion beams are also used to generate neutrons for nuclear materials testing, as well as in a series of high impact, high value adding manufacturing processes (ranging from doping of semiconductors to hardening of materials against wear and to increase bio-compatibility of materials). But to date, high power beams of high energy ions are simply too expensive because they are delivered from large single beam accelerators. We have recently demonstrated that MEMS technology enables massively parallel, low cost batch fabrication of ion beams. We propose to scale intense ion accelerators based on MEMS (micro-electro mechanical systems) to high beam power (>10 kW). With our approach, hundreds to thousands of ion beamlets will be densely packed on silicon wafers. Ions are injected and accelerated across gaps formed in stacks of wafers, leading to uniquely high current densities for intense ion accelerators with variable kinetic energy (0.1 to 10 MeV) and variable ion species. Our team brings together experts in high power ion accelerators from Lawrence Berkeley National Laboratory and leading experts in MEMS technology from Cornell University. We will deliver a disruptive technology of low cost, flexible and massively scalable ion accelerators that will enable the rapid development of radiation hard nuclear materials for advanced nuclear energy and enable new applications in manufacturing.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

NLR HPC Eagle Jobs Data and Additional Energy Metrics

Overview: Anonymized job-level records from the Eagle high-performance computing (HPC) system at the National Laboratory of the Rockies (NLR). Each record represents a Slurm batch job with scheduling metadata, resource requests, resource utilization, CPU/GPU energy consumption, and efficiency metrics. Sensitive fields (user, account, job name) are replaced with cryptographic hashes. System & Timeframe: Eagle was a 2,000-node, 8-petaflop system operated at NLR from 2019–2024. Data covers the full operational lifetime of the system. Slurm data was processed nightly; timestamps are in Mountain Time. Funding provided by the U.S. Department of Energy, EERE. Files: esif.hpc.eagle.job-anon.zip — Core anonymized job records (Hive-partitioned Parquet) esif.hpc.eagle.job-anon-energy-metrics.zip — Same records with additional iLO and Ganglia energy metrics datacard.md — Full dataset documentation ~13.8 million rows, 62 variables. Readable with PyArrow, pandas, DuckDB, Apache Spark, or any Parquet-compatible tool. Data Collection: Jobs collected via sacct through a pipeline: Eagle Jobs API → Redpanda → StreamSets → HPCMON API → PostgreSQL. Node-level power from iLO (HP Integrated Lights-Out); GPU power from Ganglia monitoring, joined to jobs via node lists and time ranges. Preprocessing: Anonymization of name, user, and account fields via cryptographic hashing Derived columns: queue_wait, cpu_eff, max_mem_eff Simplified job state mapping (e.g., "CANCELLED BY 12345" → "CANCELLED") QoS accounting rules (buy-in, standby, or Slurm QoS value) CPU energy estimated from TDP (200W, Intel Xeon Gold 6154, 18 cores) Timezone-aware columns (_tz) sourced from LEX accounting database to correctly handle DST transitions Key Variables: Scheduling: job_id, partition, state_simple, submit_time_tz, start_time_tz, end_time_tz, queue_waitResources: nodes_req/used, processors_req/used, memory_req, wallclock_req/used, gpus_requested Efficiency: cpu_eff, max_mem_eff Energy: cpu_energy_tdp_estimated_max/used_watt_hours, node_energy_total_watt_hours (iLO), gpu0/1_energy_total_watt_hours (Ganglia) Partitions: bigmem, bigmem-8600, bigscratch, csc, dav, ddn, debug, gpu, haswell, long, mono, short, standard Job States: CANCELLED, COMPLETED, FAILED, NODE_FAIL, OUT_OF_MEMORY, PENDING, RUNNING, TIMEOUT QoS Levels: Unknown, normal, buy-in, debug, penalty, high, standby Important Notes: Non-_tz timestamp columns may be off by one hour across DST boundaries; use _tz columns for time difference calculations Energy fields are null for jobs without monitoring coverage Job step records and raw Slurm JSONB fields are excluded from this extract Do not attempt to re-identify individuals from hashed fields

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1992

Plasma reactor waste management systems

The University of North Dakota is developing a plasma reactor system for use in closed-loop processing that includes biological, materials, manufacturing, and waste processing. Direct-current, high-frequency, or microwave discharges will be used to produce plasmas for the treatment of materials. The plasma reactors offer several advantages over other systems, including low operating temperatures, low operating pressures, mechanical simplicity, and relatively safe operation. Human fecal material, sunflowers, oats, soybeans, and plastic were oxidized in a batch plasma reactor. Over 98 percent of the organic material was converted to gaseous products. The solids were then analyzed and a large amount of water and acid-soluble materials were detected. These materials could possibly be used as nutrients for biological systems.

Ness, Robert O., Jr.↗

NASA NTRS1996

Development of Secondary Archive System at Goddard Space Flight Center Version 0 Distributed Active Archive Center

The Goddard Space Flight Center (GSFC) version 0 Distributed Active Archive Center (DAAC) has been developed to support existing and pre Earth Observing System (EOS) Earth science datasets, facilitate the scientific research, and test EOS data and information system (EOSDIS) concepts. To ensure that no data is ever lost, each product received at GSFC DAAC is archived on two different media, VHS and digital linear tape (DLT). The first copy is made on VHS tape and is under the control of UniTree. The second and third copies are made to DLT and VHS media under a custom built software package named 'Archer'. While Archer provides only a subset of the functions available with commercial software like UniTree, it supports migration between near-line and off-line media and offers much greater performance and flexibility to satisfy the specific needs of a data center. Archer is specifically designed to maximize total system throughput, rather than focusing on the turn-around time for individual files. The commercial off the shelf software (COTS) hierarchical storage management (HSM) products evaluated were mainly concerned with transparent, interactive, file access to the end-user, rather than a batch-orientated, optimizable (based on known data file characteristics) data archive and retrieval system. This is critical to the distribution requirements of the GSFC DAAC where orders for 5000 or more files at a time are received. Archer has the ability to queue many thousands of file requests and to sort these requests into internal processing schedules that optimize overall throughput. Specifically, mount and dismount, tape load and unload cycles, and tape motion are minimized. This feature did not seem to be available in many COTS pacages. Archer also uses a generic tar tape format that allows tapes to be read by many different systems rather than the proprietary format found in most COTS packages. This paper discusses some of the specific requirements at GSFC DAAC, the motivations for implementing the Archer system, and presents a discussion of the Archer design that resulted.

Sherman, Mark↗

NASA NTRSDate not supplied

Coupling Online Conductivity with Offline Ion Chromatography Measurements using the Particle-into-Liquid Sampler

A particle-into-liquid sampler has been combined with a flow through conductivity cell to provide a continuous, non-destructive, online measurement in support of offline ion chromatography analysis. The conductivity measurement provides a rapid assessment of the total ion concentration augmenting the slower batch data from the offline analysis and is developed primarily to assist airborne measurements, where fast time response is essential. A model of the conductivity was developed for measured ions and excellent closure is derived for laboratory-generated aerosols. The PILS-conductivity measurement was extensively tested during the NASA Cloud, Aerosol and Monsoon Processes: Philippines Experiment (CAMP2Ex) across nineteen research flights and the conductivity data was found to augment the temporal capability of the PILS instrument for assessing ionic species, allowing sub-minute variability to be resolved. Through the sampling of a diverse range of ambient aerosol, including biomass burning, fresh and aged urban pollution, the conductivity measurement offered additional useful information to untangle the composition of complex aerosol mixtures, specifically for assessing acidic aerosol conditions.

Ewan Colin Crosbie↗

DOE OSTI2021

SGD-Net: Efficient Model-Based Deep Learning with Theoretical Guarantees

Deep unfolding networks have recently gained popularity for solving imaging inverse problems. However, the computational and memory complexity of data-consistency layers within traditional deep unfolding networks scales with the number of measurements, limiting their applicability to large-scale imaging inverse problems. We propose SGD-Net as a new methodology for improving the efficiency of deep unfolding through stochastic approximations of the data-consistency layers. Our theoretical analysis shows that SGD-Net can be trained to approximate batch deep unfolding networks to an arbitrary precision. Our simulations on intensity diffraction tomography and sparse-view computed tomography show that SGD-Net can match the performance of the traditional batch network at a fraction of training and testing complexity.Deep unfolding networks have recently gained popularity for solving imaging inverse problems. However, the computational and memory complexity of data-consistency layers within traditional deep unfolding networks scales with the number of measurements, limiting their applicability to large-scale imaging inverse problems. We propose SGD-Net as a new methodology for improving the efficiency of deep unfolding through stochastic approximations of the data-consistency layers. Our theoretical analysis shows that SGD-Net can be trained to approximate batch deep unfolding networks to an arbitrary precision. Our simulations on intensity diffraction tomography and sparse-view computed tomography show that SGD-Net can match the performance of the traditional batch network at a fraction of training and testing complexity.

97 MATHEMATICS AND COMPUTING↗